Detailed information for compound 513545
Basic information
Technical information
- TDR Targets ID: 513545
- Name: fascaplysine
- MW: 306.746 | Formula: C18H11ClN2O
-
H donors: 1
H acceptors: 1
LogP: 4.75
Rotable bonds: 0
Rule of 5 violations (Lipinski): 1 - SMILES: O=C1c2c3[nH]c4c(c3cc[n+]2c2c1cccc2)cccc4.[Cl-]
- InChi: 1S/C18H10N2O.ClH/c21-18-13-6-2-4-8-15(13)20-10-9-12-11-5-1-3-7-14(11)19-16(12)17(18)20;/h1-10H;1H
- InChiKey: PWUOOJVYZQILBG-UHFFFAOYSA-N
Network
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Synonyms
- 114719-57-2
- Fascaplysin
- Fascaplysin, Synthetic
- Fascaplisine
- Pyrido(1,2a:3,4-b')diindol-5-ium, 12,13-dihydro-13-oxo-, chloride
- Fascaplysin chloride
- NSC622398
- Pyrido[1,2-a:3,4-b']diindol-5-ium, 12,13-dihydro-13-oxo-,chloride
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | cyclin-dependent kinase 6 | Starlite/ChEMBL | References |
| Homo sapiens | cyclin-dependent kinase 4 | Starlite/ChEMBL | References |
| Homo sapiens | cyclin D1 | References |
Predicted pathogen targets for this compound
By orthology
| Species | Potential target | Known druggable target/s | Ortholog Group |
|---|---|---|---|
| Schistosoma japonicum | ko:K02091 cyclin-dependent kinase 6, putative | Get druggable targets OG5_133618 | All targets in OG5_133618 |
| Schistosoma mansoni | serine/threonine protein kinase | Get druggable targets OG5_133618 | All targets in OG5_133618 |
| Echinococcus granulosus | cyclin dependent kinase 6 | Get druggable targets OG5_133618 | All targets in OG5_133618 |
| Echinococcus multilocularis | cyclin dependent kinase 6 | Get druggable targets OG5_133618 | All targets in OG5_133618 |
By sequence similarity to non orthologous known druggable targets
| Species | Potential target | Known druggable target | Length | Alignment span | Identity |
|---|---|---|---|---|---|
| Trypanosoma brucei | mitogen-activated protein kinase 5 | cyclin-dependent kinase 6 | 326 aa | 314 aa | 31.2 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | cyclin-dependent kinase 4 | 303 aa | 312 aa | 29.8 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Trichomonas vaginalis | cyclin D, putative | 0.00218414 | 0 | 0.5 |
| Entamoeba histolytica | cyclin, putative | 0.00218414 | 0 | 0.5 |
| Entamoeba histolytica | cyclin family protein | 0.00218414 | 0 | 0.5 |
| Leishmania major | cyclin | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin D, putative | 0.00218414 | 0 | 0.5 |
| Brugia malayi | Cyclin, N-terminal domain containing protein | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclins, putative | 0.00218414 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00218414 | 0 | 0.5 |
| Trypanosoma cruzi | cyclin, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclins, putative | 0.00218414 | 0 | 0.5 |
| Trypanosoma cruzi | CYC2-like cyclin, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclins, putative | 0.00218414 | 0 | 0.5 |
| Onchocerca volvulus | 0.00218414 | 0 | 0.5 | |
| Trichomonas vaginalis | cyclin B, putative | 0.00218414 | 0 | 0.5 |
| Brugia malayi | Cyclin, N-terminal domain containing protein | 0.00218414 | 0 | 0.5 |
| Brugia malayi | Cyclin, N-terminal domain containing protein | 0.00218414 | 0 | 0.5 |
| Giardia lamblia | Cyclin A | 0.00218414 | 0 | 0.5 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0267855 | 1 | 1 |
| Trichomonas vaginalis | cyclin B3, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin B, putative | 0.00218414 | 0 | 0.5 |
| Trypanosoma cruzi | cyclin, putative | 0.00218414 | 0 | 0.5 |
| Echinococcus granulosus | cyclin dependent kinase 6 | 0.0267855 | 1 | 1 |
| Giardia lamblia | Hypothetical protein | 0.00218414 | 0 | 0.5 |
| Leishmania major | CYC2-like cyclin, putative,cyclin 6, putative | 0.00218414 | 0 | 0.5 |
| Entamoeba histolytica | cyclin, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin A, putative | 0.00218414 | 0 | 0.5 |
| Entamoeba histolytica | cyclin family protein | 0.00218414 | 0 | 0.5 |
| Giardia lamblia | G2/mitotic-specific cyclin B | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin B, putative | 0.00218414 | 0 | 0.5 |
| Plasmodium falciparum | cyclin | 0.00218414 | 0 | 0.5 |
| Trypanosoma brucei | mitotic cyclin 6 | 0.00218414 | 0 | 0.5 |
| Loa Loa (eye worm) | cyclin domain-containing protein | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin B, putative | 0.00218414 | 0 | 0.5 |
| Loa Loa (eye worm) | hypothetical protein | 0.00218414 | 0 | 0.5 |
| Trypanosoma cruzi | cyclin 6, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclin B, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclins, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | cyclins, putative | 0.00218414 | 0 | 0.5 |
| Trichomonas vaginalis | conserved hypothetical protein | 0.00218414 | 0 | 0.5 |
| Echinococcus multilocularis | cyclin dependent kinase 6 | 0.0267855 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (binding) | = 10 % | Inhibition of p56 LCK activity at 0.7 mM | ChEMBL. | 10869210 |
| Activity (binding) | = 10 % | Inhibition of HIV1 reverse transcriptase assessed as enzyme residual activity at 0.12 mM | ChEMBL. | 10869210 |
| Activity (functional) | = 300 Zone units | Cytotoxicity against human CEM cells at 0.4 ug/disk by disk diffusion soft agar colony formation assay | ChEMBL. | 15165138 |
| Activity (functional) | = 400 Zone units | Cytotoxicity against mouse L1210 cells at 0.4 ug/disk by disk diffusion soft agar colony formation assay | ChEMBL. | 15165138 |
| Activity (functional) | = 500 Zone units | Cytotoxicity against mouse C38 cells at 0.4 ug/disk by disk diffusion soft agar colony formation assay | ChEMBL. | 15165138 |
| CC50 | = 0.589 uM | NOVARTIS: Cytotoxicity against human hepatocellular carcinoma cell line (Huh7) | ChEMBL. | 18579783 |
| EC50 (functional) | = 0.0464 uM | NOVARTIS: Inhibition of Plasmodium falciparum W2 (drug-resistant) proliferation in erythrocyte-based infection assay | ChEMBL. | 18579783 |
| EC50 (functional) | = 0.0749 uM | NOVARTIS: Inhibition of Plasmodium falciparum 3D7 (drug-susceptible) proliferation in erythrocyte-based infection assay | ChEMBL. | 18579783 |
| GI50 (functional) | -7.232 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.853 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.72 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.637 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.509 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.457 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.394 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.254 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -6.166 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.941 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| GI50 (functional) | -5.781 | PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| IC50 (functional) | = 34 ng/ml | Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum NF54 | ChEMBL. | 10869210 |
| IC50 (functional) | = 7.82 nM | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium falciparum W2-Mef infected in human O-positive erythrocytes assessed as inhibition of ring-stage parasite growth after 48 hrs | ChEMBL. | 21696970 |
| IC50 (functional) | = 48.2 nM | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium falciparum W2-Mef infected in human O-positive erythrocytes after 48 hrs | ChEMBL. | 21696970 |
| IC50 (functional) | = 65.2 nM | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium falciparum W2-Mef infected in human O-positive erythrocytes assessed as inhibition of schizonts growth after 48 hrs | ChEMBL. | 21696970 |
| IC50 (binding) | = 350 nM | Inhibition of Cdk/cyclin D1 (unknown origin) | ChEMBL. | 18077363 |
| IC50 (functional) | = 401 nM | Antimalarial activity against chloroquine- and mefloquine-resistant Plasmodium falciparum W2-Mef infected in human O-positive erythrocytes assessed as inhibition of trophozoites growth after 48 hrs | ChEMBL. | 21696970 |
| IC50 (functional) | = 630 nM | Antitrypanosomal activity against Trypanosoma brucei subsp. rhodesiense | ChEMBL. | 10869210 |
| IC50 (binding) | = 3400 nM | Inhibition of Cdk6/cyclin D1 (unknown origin) | ChEMBL. | 18077363 |
| IC50 (binding) | > 10000 nM | Inhibition of tyrosine kinase (unknown origin) | ChEMBL. | 18077363 |
| IC50 (binding) | > 20000 nM | Inhibition of CDK (unknown origin) | ChEMBL. | 18077363 |
| IC50 (functional) | = 0.184 uM | Antiparasitic activity against Plasmodium falciparum K1 | ChEMBL. | 20133138 |
| IC50 (binding) | = 0.35 uM | Inhibition of CDK4 | ChEMBL. | 16441060 |
| IC50 (binding) | = 0.35 uM | Inhibition of CDK4 (unknown origin) | ChEMBL. | 26560048 |
| IC50 (functional) | = 0.36 uM | Antitumor activity against human MALME-3M cells | ChEMBL. | 15165138 |
| IC50 (binding) | = 0.41 uM | Binding affinity to human CDK4/cyclinD1 using GST-pRB152 as substrate by chemiluminescence assay | ChEMBL. | 25368960 |
| IC50 (binding) | = 0.55 uM | Inhibition of human CDK4/GST-cyclin D1 expressed in Sf9 cells assessed as retinoblastoma GST-RB152 phosphorylation | ChEMBL. | 18650093 |
| IC50 (binding) | = 0.55 uM | Inhibition of human CDK4/ Cyclin D1 catalytic subunit expressed in Sf9 insect cells assessed as GST-RB152 fusion protein phosphorylation-associated depletion in ATP level by luminescence assay | ChEMBL. | 19632122 |
| IC50 (functional) | = 0.56 uM | Antitumor activity against human MDA-MB-435 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 0.56 uM | Antitumor activity against human MDA-N cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 0.6 uM | Antitumor activity against human HCT116 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 0.69 uM | Growth inhibition of p53+, pRb+ human A549 cells after 48 hrs by MTT assay | ChEMBL. | 25368960 |
| IC50 (functional) | = 0.92 uM | Antitumor activity against human M14 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 1.2 uM | Antitumor activity against human COLO205 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 1.5 uM | Antitumor activity against human OVCAR-3 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 1.7 uM | Antitumor activity against human HCC2998 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 2 uM | Antitumor activity against human SK-MEL-5 cells | ChEMBL. | 15165138 |
| IC50 (binding) | = 3.4 uM | Inhibition of CDK6 | ChEMBL. | 16441060 |
| IC50 (functional) | = 3.5 uM | Antitumor activity against human RXF393 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 3.6 uM | Antitumor activity against human U251 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 3.7 uM | Antitumor activity against human SW620 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 3.9 uM | Antitumor activity against human SF295 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.2 uM | Antitumor activity against human SF539 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.2 uM | Antitumor activity against human SN12C cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.2 uM | Antitumor activity against human A549/ATCC cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.2 uM | Antitumor activity against human NCI-H460 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.4 uM | Antitumor activity against human OVCAR5 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.5 uM | Antitumor activity against human IGROV1 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.5 uM | Antitumor activity against human NCI-H23 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.5 uM | Antitumor activity against human NCI-H522 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.6 uM | Antitumor activity against human KM12 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.7 uM | Antitumor activity against human HOP62 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.9 uM | Antitumor activity against human UACC62 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 4.9 uM | Antitumor activity against human DU145 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5 uM | Antitumor activity against human NCI-H322M cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5.1 uM | Antitumor activity against human EKVX cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5.2 uM | Antitumor activity against human A498 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5.3 uM | Antitumor activity against human OVCAR4 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5.4 uM | Antitumor activity against human SNB75 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 5.4 uM | Antitumor activity against human TK10 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 6.1 uM | Antitumor activity against human SNB19 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 6.1 uM | Antitumor activity against human Caki1 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 9.3 uM | Antitumor activity against human SK-MEL-28 cells | ChEMBL. | 15165138 |
| IC50 (functional) | = 9.6 uM | Antitumor activity against human NCI-H226 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human HCT15 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human HT-29 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human SF268 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human LOXIMVI cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human UACC257 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human OVCAR8 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human SKOV3 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human ACHN cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human UO31 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human PC3 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human MCF7 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against ADF-resistant human MCF7 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human MDA-MB-231 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human BT549 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human T47D cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human CCRF-CEM cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human HL-60(TB) cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human K562 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human MOLT4 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human RPMI8226 cells | ChEMBL. | 15165138 |
| IC50 (functional) | > 10 uM | Antitumor activity against human SR cells | ChEMBL. | 15165138 |
| IC50 (binding) | > 250 uM | Binding affinity to human CDK2/cyclinA using GST-pRB152 as substrate by chemiluminescence assay | ChEMBL. | 25368960 |
| IC50 (binding) | > 250 uM | Binding affinity to human CDK2/cyclinE | ChEMBL. | 25368960 |
| IC50 (binding) | > 250 uM | Binding affinity to human CDK1/cyclinB1 | ChEMBL. | 25368960 |
| IC50 (binding) | > 250 uM | Binding affinity to human CDK9/cyclinT1 | ChEMBL. | 25368960 |
| IC50 (binding) | = 500 uM | Inhibition of human CDK2/GST-cyclin A expressed in Sf9 cells assessed as histone phosphorylation | ChEMBL. | 18650093 |
| IC50 (binding) | = 500 uM | Inhibition of human CDK2/ Cyclin A catalytic subunit expressed in Sf9 insect cells assessed as histone H1 phosphorylation-associated depletion in ATP level by luminescence assay | ChEMBL. | 19632122 |
| IZ (functional) | = 6 mm | Antibacterial activity against Escherichia coli at 50 ug by agar diffusion assay | ChEMBL. | 10869210 |
| Thermal melting change (binding) | = -4.3 degrees C | Delta TM value showing the stabilisation of CAMK1D produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -3.5 degrees C | Delta TM value showing the stabilisation of CAMK1G produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.9 degrees C | Delta TM value showing the stabilisation of CAMK2D produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.7 degrees C | Delta TM value showing the stabilisation of PDK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.6 degrees C | Delta TM value showing the stabilisation of ASK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.5 degrees C | Delta TM value showing the stabilisation of MST4 (2) produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.4 degrees C | Delta TM value showing the stabilisation of PIM2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2.1 degrees C | Delta TM value showing the stabilisation of CAMKK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2 degrees C | Delta TM value showing the stabilisation of CAMK2B produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -2 degrees C | Delta TM value showing the stabilisation of NEK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.9 degrees C | Delta TM value showing the stabilisation of CLK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.9 degrees C | Delta TM value showing the stabilisation of ERK3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.8 degrees C | Delta TM value showing the stabilisation of CAMK2G produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.8 degrees C | Delta TM value showing the stabilisation of LOK produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.6 degrees C | Delta TM value showing the stabilisation of MST1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.5 degrees C | Delta TM value showing the stabilisation of JAK1~B produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.5 degrees C | Delta TM value showing the stabilisation of OSR1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.5 degrees C | Delta TM value showing the stabilisation of YSK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.3 degrees C | Delta TM value showing the stabilisation of p38beta produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -1.2 degrees C | Delta TM value showing the stabilisation of VRK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of CLK3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of DMPK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of PAK6 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of RIOK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of SLK produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.9 degrees C | Delta TM value showing the stabilisation of TNIK produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of CK1G3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of MEK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of MAP2K6 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of MST4(1) produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of PIM1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.8 degrees C | Delta TM value showing the stabilisation of VRK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.6 degrees C | Delta TM value showing the stabilisation of CK1G1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.6 degrees C | Delta TM value showing the stabilisation of PAK4 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.6 degrees C | Delta TM value showing the stabilisation of PCTK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.5 degrees C | Delta TM value showing the stabilisation of CAMK2A produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.5 degrees C | Delta TM value showing the stabilisation of CDKL1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.5 degrees C | Delta TM value showing the stabilisation of DAPK3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.5 degrees C | Delta TM value showing the stabilisation of NDR1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.4 degrees C | Delta TM value showing the stabilisation of CLK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.4 degrees C | Delta TM value showing the stabilisation of VRK3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.3 degrees C | Delta TM value showing the stabilisation of CK1G2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.1 degrees C | Delta TM value showing the stabilisation of NEK6 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.1 degrees C | Delta TM value showing the stabilisation of PLK4 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.1 degrees C | Delta TM value showing the stabilisation of RSK2a produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = -0.1 degrees C | Delta TM value showing the stabilisation of MPSK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0 degrees C | Delta TM value showing the stabilisation of AMPKA2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0 degrees C | Delta TM value showing the stabilisation of CDK2 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0 degrees C | Delta TM value showing the stabilisation of PIM3 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.1 degrees C | Delta TM value showing the stabilisation of GSK3B produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.2 degrees C | Delta TM value showing the stabilisation of CDK6 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.3 degrees C | Delta TM value showing the stabilisation of ERK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.3 degrees C | Delta TM value showing the stabilisation of PAK5 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.6 degrees C | Delta TM value showing the stabilisation of PRKACA produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.6 degrees C | Delta TM value showing the stabilisation of PBK produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.7 degrees C | Delta TM value showing the stabilisation of CAMK4 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.7 degrees C | Delta TM value showing the stabilisation of RSK2b produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 0.8 degrees C | Delta TM value showing the stabilisation of PLK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 1.5 degrees C | Delta TM value showing the stabilisation of DRAK1 produced by compound binding | ChEMBL. | 18077363 |
| Thermal melting change (binding) | = 4.9 degrees C | Delta TM value showing the stabilisation of CHEK2 produced by compound binding | ChEMBL. | 18077363 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Trypanosoma brucei gambiense | 10869210 | ||
| Plasmodium falciparum | ChEMBL23 | 10869210 | |
| Homo sapiens | ChEMBL23 | 15165138 |
Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.
Annotated phenotypes:
We have no manually annotated phenotypes for this drug.
What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by
drugs, or by genetic manipulation of cells (e.g. gene knockouts or
knockdowns) is manually curated from the literature. These
descriptions help to describe the potential of the target for drug
development. If no information is available for this gene or if the
information is incomplete, this may mean that i) the papers
containing this information either appeared after the curation
effort for this organism was carried out or they were inadvertently
missed by curators; or that ii) the curation effort for this
organism has not yet started.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.
External resources for this compound
- Search by CAS
- ChEMBL: CHEMBL258765
- PubChem: 73292
Bibliographic References
7 literature references were collected for this gene.
If you have references for this compound, please enter them in a user comment (below) or Contact us.