Detailed information for compound 260183
Basic information
Technical information
- TDR Targets ID: 260183
- Name: (+-)-Verapamil hydrochloride
- MW: 491.063 | Formula: C27H39ClN2O4
-
H donors: 0
H acceptors: 1
LogP: 6.16
Rotable bonds: 13
Rule of 5 violations (Lipinski): 1 - SMILES: COc1ccc(cc1OC)CCN(CCCC(c1ccc(c(c1)OC)OC)(C(C)C)C#N)C.Cl
- InChi: 1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H
- InChiKey: DOQPXTMNIUCOSY-UHFFFAOYSA-N
Network
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Synonyms
- (+/-)-VERAPAMIL HYDROCHLORIDE
- (+/-)-Verapamil, Hydrochloride
- 152-11-4
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-isopropylpentanenitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-[homoveratryl(methyl)amino]-2-isopropyl-valeronitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-propan-2-ylpentanenitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-isopropyl-pentanenitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]-2-isopropylpentanenitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]-2-propan-2-yl-pentanenitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-[homoveratryl(methyl)amino]-2-isopropyl-valeronitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-(homoveratryl-methyl-amino)-2-isopropyl-valeronitrile hydrochloride
- 2-(3,4-dimethoxyphenyl)-5-(homoveratryl-methyl-amino)-2-isopropyl-valeronitrile; hydron; chloride
- 2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-isopropylpentanenitrile hydrochloride
- 5-((3,4-Dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropylvaleronitrile monohydrochloride
- Akilen
- Apo-Verap
- Arpamyl LP
- Benzeneacetonitrile, .alpha.-[3-[[2-(3,4-dimethoxyphenyl)ethyl]methylamino]propyl]-3,4-dimethoxy-.alpha.-(1-methylethyl)-, monohydrochloride
- Benzeneacetonitrile, alpha-(3-((2-(3,4-dimethoxyphenyl)ethyl)methylamino)propyl)-3,4-dimethoxy-alpha-(1-methylethyl)-, monohydrochloride
- Berkatens
- Calan
- Calan (TN)
- Calan SR
- Calaptin
- Calaptin 240 SR
- Calcan hydrochloride
- Cardiabeltin
- Cardiagutt
- Cardibeltin
- Cardioprotect
- Caveril
- Civicor
- Civicor Retard
- Coraver
- Cordilox
- Cordilox SR
- Corpamil
- Covera-HS
- Covera-hs (TN)
- D-365 hydrochloride
- D00619
- Dignover
- Dilacoran HTA
- Durasoptin
- EINECS 205-800-5
- Elthon
- EU-0101237
- Falicard
- Finoptin
- Flamon
- Geangin
- Harteze
- Hexasoptin
- Hexasoptin Retard
- Hormitol
- HSDB 3928
- Ikacor
- Ikapress
- Inselon
- Iproveratril hydrochloride
- Isoptin
- Isoptin Retard
- Isoptin SR
- Isoptine
- Isoptino
- Isotopin hydrochloride
- Izoptin
- Jenapamil
- Lekoptin
- Lodixal
- LU 20175
- Magotiron
- Manidon
- Manidon Retard
- MLS000069485
- NCGC00024710-03
- NCGC00094479-03
- NCGC00094479-02
- Novapamyl LP
- Novo-Veramil
- NSC 135784
- NSC 272366
- NSC272366
- NSC657799
- Nu-Verap
- Ormil
- Praecicor
- Prestwick_440
- Quasar
- Rapam
- Robatelan
- Securon
- SMR000059109
- SPECTRUM2300307
- ST066908
- Tarka
- Univer
- Univex
- Valeronitrile, 5-((3,4-dimethoxyphenethyl)methylamino)-2-(3,4-dimethoxyphenyl)-2-isopropyl-, monohydrochloride
- Vasolan
- Vasolan (TN)
- Vasomil
- Vasopten
- Vera-Sanorania
- Verabeta
- Veracaps SR
- Veracor
- Verahexal
- Veraloc
- Veramex
- Veramil
- Verapamil
- Verapamil AL
- Verapamil Acis
- Verapamil Atid
- Verapamil Basics
- Verapamil Ebewe
- Verapamil Henning
- Verapamil Injection
- Verapamil MSD
- Verapamil NM
- Verapamil NM Pharma
- Verapamil Nordic
- Verapamil PB
- Verapamil Riker
- Verapamil SR
- Verapamil Verla
- Verapamil chloridrate
- Verapamil hydrochloride
- Verapamil hydrochloride [USAN:JAN]
- Verapamil HCl
- Verapamil hydrochloride (JP15/USP)
- Verapamil-AbZ
- Verapamyl hydrochloride
- Verapin
- Verapress 240 SR
- Verasal
- Verasifar
- Veratensin
- Verdilac
- Verelan
- Verelan (TN)
- Verelan PM
- Verelan SR
- Veroptinstada
- Verpamil
- Vetrimil
- Vortac
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylazanium chloride
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-ammonium chloride
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methylhexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methylammonium chloride
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-[2-(3,4-dimethoxyphenyl)ethyl]-methyl-azanium chloride
- [4-cyano-4-(3,4-dimethoxyphenyl)-5-methyl-hexyl]-homoveratryl-methyl-ammonium chloride
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | survival of motor neuron 2, centromeric | Starlite/ChEMBL | No references |
| Homo sapiens | androgen receptor | Starlite/ChEMBL | No references |
| Homo sapiens | multiple endocrine neoplasia I | No references | |
| Homo sapiens | mechanistic target of rapamycin (serine/threonine kinase) | Starlite/ChEMBL | No references |
| Homo sapiens | thyroid stimulating hormone receptor | Starlite/ChEMBL | No references |
| Homo sapiens | peroxisome proliferator-activated receptor delta | Starlite/ChEMBL | No references |
| Homo sapiens | geminin, DNA replication inhibitor | Starlite/ChEMBL | No references |
| Homo sapiens | neuropeptide S receptor 1 | Starlite/ChEMBL | No references |
| Escherichia coli | endonuclease IV with intrinsic 3'-5' exonuclease activity | Starlite/ChEMBL | No references |
| Homo sapiens | ubiquitin specific peptidase 2 | Starlite/ChEMBL | No references |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Starlite/ChEMBL | No references |
| Homo sapiens | cytochrome P450, family 3, subfamily A, polypeptide 4 | Starlite/ChEMBL | No references |
| Homo sapiens | potassium voltage-gated channel, subfamily H (eag-related), member 2 | Starlite/ChEMBL | No references |
| Homo sapiens | lysine (K)-specific methyltransferase 2A | Starlite/ChEMBL | No references |
| Homo sapiens | vitamin D (1,25- dihydroxyvitamin D3) receptor | Starlite/ChEMBL | No references |
| Homo sapiens | RecQ helicase-like | Starlite/ChEMBL | No references |
| Homo sapiens | ataxin 2 | Starlite/ChEMBL | No references |
Predicted pathogen targets for this compound
By orthology
By sequence similarity to non orthologous known druggable targets
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus multilocularis | potassium voltage gated channel protein | 0.102691 | 1 | 1 |
| Schistosoma mansoni | glucose-6-phosphatase | 0.0479839 | 0.426056 | 0.426056 |
| Loa Loa (eye worm) | hypothetical protein | 0.102691 | 1 | 1 |
| Echinococcus granulosus | potassium voltage gated channel protein | 0.102691 | 1 | 1 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0478595 | 0.424751 | 0.424751 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.102691 | 1 | 1 |
| Echinococcus granulosus | potassium voltage gated channel subfamily A | 0.102691 | 1 | 1 |
| Echinococcus multilocularis | potassium voltage gated channel subfamily A | 0.0992295 | 0.963682 | 0.963682 |
| Schistosoma mansoni | voltage-gated potassium channel | 0.102691 | 1 | 1 |
| Brugia malayi | Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit | 0.102691 | 1 | 1 |
| Echinococcus multilocularis | conserved hypothetical protein | 0.0478595 | 0.424751 | 0.424751 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| GI50 (functional) | -4.766 | 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) | -4.727 | 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) | -4.617 | 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 |
| GI50 (functional) | -4.157 | 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) | -4.13 | 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) | -4.063 | 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) | -4.024 | 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) | -4 | 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) | -4 | 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) | -4 | 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) | -4 | 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 |
| IC50 (functional) | = -6 | Antiplasmodial activity against Plasmodium falciparum HB3 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -6 | Antiplasmodial activity against Plasmodium falciparum W2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.8 | Antiplasmodial activity against Plasmodium falciparum 3D7 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.5 | Antiplasmodial activity against Plasmodium falciparum GB4 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.4 | Antiplasmodial activity against Plasmodium falciparum Dd2 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.3 | Antiplasmodial activity against Plasmodium falciparum D10 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = -5.2 | Antiplasmodial activity against Plasmodium falciparum 7G8 after 72 hrs by SYBR green assay | ChEMBL. | 19734910 |
| IC50 (functional) | = 10 nM | Intracellular uptake of drug in presence of 3H VBL and in absence of VRP in 2SC/20 cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 22 nM | Intracellular uptake of drug in presence of 3H VBL and absence of VRPin HET-SR-2SC-LNM cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 23 nM | Intracellular uptake of drug in presence of 3H VBL and VRP in 2SC/20 cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 29 nM | Intracellular uptake of drug in presence of 3H VBL and VRP in HET-SR-2SC-LNM cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 132 nM | Intracellular uptake of drug in presence of ADM and in absence of VRP in 2SC/20 cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 235 nM | Intracellular uptake of drug in presence of ADM and absence of VRPin HET-SR-2SC-LNM cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 289 nM | Intracellular uptake of drug in presence of ADM and VRP in 2SC/20 cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 310 nM | Intracellular uptake of drug in presence of ADM and VRP in HET-SR-2SC-LNM cell line | ChEMBL. | 12431060 |
| IC50 (functional) | = 48 uM | Cytotoxicity against cell line HET-SR-2SC-LNM determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 58 uM | Cytotoxicity against cell line 2SC/20 determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 66 uM | Cytotoxicity against cell line mS determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 66 uM | Cytotoxicity against cell line mS determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 80 uM | Cytotoxicity against cell line COR/L23P determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 80 uM | Cytotoxicity against cell line COR/L23P and MRP determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 100 uM | Cytotoxicity against cell line K562 determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 100 uM | Cytotoxicity against cell line K562i/S9 and pgp determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 100 uM | Cytotoxicity against cell line K562 determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 100 uM | Cytotoxicity against cell line K562i/S9 and pgp determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 150 uM | Cytotoxicity against cell line McA RH 7777 determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 230 uM | Cytotoxicity against cell line mS/0.5 and pgp determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 230 uM | Cytotoxicity against cell line mS/0.5 and pgp determined by MTT test | ChEMBL. | 12431060 |
| IC50 (functional) | = 470 uM | Cytotoxicity against cell line McA RH 7777/0.4 and Pgp determined by MTT test | ChEMBL. | 12431060 |
| Inhibition (ADMET) | = 42.07087314 % | Inhibition of sodium fluorescein uptake in OATP1B1-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| Inhibition (ADMET) | = 89.1800785 % | Inhibition of sodium fluorescein uptake in OATP1B3-transfected CHO cells at an equimolar substrate-inhibitor concentration of 10 uM | ChEMBL. | 23571415 |
| IS (functional) | = 2 | Index of sensitisation (IS)in presence of ADM and HET-SR-2SC-LNM | ChEMBL. | 12431060 |
| IS (functional) | = 4 | Index of sensitisation (IS)in presence of VBL and HET-SR-2SC-LNM | ChEMBL. | 12431060 |
| IS (functional) | = 11 | Index of sensitisation (IS)in presence of VBL and 2SC/2O | ChEMBL. | 12431060 |
| IS (functional) | = 11 | Index of sensitisation (IS)in presence of ADM and 2SC/2O | ChEMBL. | 12431060 |
| Potency (functional) | = 0.002 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP2-006. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 0.0282 um | PUBCHEM_BIOASSAY: Counterscreen for APE1 Inhibitors: qHTS Validation Assay for Inhibitors of Endonuclease IV. (Class of assay: confirmatory) [Related pubchem assays: 1705, 1707 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 0.631 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 0.631 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | = 1.122 um | PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 1.4125 uM | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 1.5849 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] | ChEMBL. | No reference |
| Potency (ADMET) | = 2.5119 um | PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (ADMET) | = 2.5119 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ] | ChEMBL. | No reference |
| Potency (functional) | 2.6169 uM | PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774] | ChEMBL. | No reference |
| Potency (functional) | 3.2944 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 3.9811 uM | PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of the Human hERG Channel Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 4.1475 uM | PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] | ChEMBL. | No reference |
| Potency (functional) | 4.5904 uM | PubChem BioAssay. Acumen qHTS Assay for Inhibitors of the mTORC1 Signaling Pathway in MEF (Tsc2-/-, p53-/-) Cells: Hit Validation. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 5.0119 um | PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Thyroid Stimulating Hormone Receptor: Activators of Intracellular cAMP Concentrations in Parental HEK 293. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 5.2213 uM | PUBCHEM_BIOASSAY: Quantitative high throughput screen for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488774] | ChEMBL. | No reference |
| Potency (functional) | 7.0795 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of vitamin D receptor signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 10 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Ubiquitin-specific Protease USP2a. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 10 uM | PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] | ChEMBL. | No reference |
| Potency (functional) | = 12.5893 um | PUBCHEM_BIOASSAY: qHTS Assay for Antagonists of the Neuropeptide S Receptor: cAMP Signal Transduction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 12.5893 uM | PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 13.7719 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 17.7828 um | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 17.7828 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] | ChEMBL. | No reference |
| Potency (functional) | 18.3564 uM | PUBCHEM_BIOASSAY: Validation screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463097, AID463113, AID493165, AID493166, AID504806, AID504809] | ChEMBL. | No reference |
| Potency (functional) | 19.9526 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 20.5962 uM | PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 25.1189 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor gamma signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 27.4785 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule agonists of the AP-1 signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 31.6228 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of farnesoid X receptor signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 32.6427 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] | ChEMBL. | No reference |
| Potency (functional) | = 35.4813 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 39.8107 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule antagonists of retinoid X receptor alpha signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP2-022. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP2-007. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 39.8107 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP2-019. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 42.5615 um | PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Human Peripheral Myelin Protein 22 (PMP22) Expression/Activity. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 44.6684 uM | PUBCHEM_BIOASSAY: qHTS assay for small molecule agonists of peroxisome proliferator-activated receptor delta signaling. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 50.1187 uM | PubChem BioAssay. qHTS assay for small molecule activators of the rat pregnane X receptor (rPXR) signaling pathway. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 50.1187 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP2-018. Luminescent cell viability assay, measuring the amount of cellular ATP in the cell line following compound treatment for 24 hours (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | = 50.1187 um | PUBCHEM_BIOASSAY: Cell Viability - LYMP1-002 - Assay at 40 hr. CellTiter-Glo luminescent cell viability assay (Promega), as a homogeneous method to measure the number of viable cells in culture was used. The end point readout of this assay is based on quantitation of intracellular ATP, an indicator of metabolic activity, using the luciferase reaction. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Validation Assay for Inhibitors for MPP8 Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) | ChEMBL. | No reference |
| Potency (functional) | 56.2341 uM | PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] | ChEMBL. | No reference |
| Potency (functional) | 68.4501 uM | PubChem BioAssay: Tox21. qHTS assay to identify small molecule antagonists of the androgen receptor (AR) signaling pathway using the MDA cell line. (Class of assay: confirmatory) | ChEMBL. | No reference |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | ||
| Plasmodium falciparum | ChEMBL23 | 19734910 |
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
Bibliographic References
2 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.