Detailed information for compound 1903584
Basic information
Technical information
- Name: Unnamed compound
- MW: 449.906 | Formula: C21H25ClFN5O3
-
H donors: 3
H acceptors: 4
LogP: 1.69
Rotable bonds: 7
Rule of 5 violations (Lipinski): 1 - SMILES: OC[C@H](c1ccc(c(c1)F)Cl)NC(=O)N1CCc2c(C1)nc(nc2)NC1CCOCC1
- InChi: 1S/C21H25ClFN5O3/c22-16-2-1-13(9-17(16)23)19(12-29)27-21(30)28-6-3-14-10-24-20(26-18(14)11-28)25-15-4-7-31-8-5-15/h1-2,9-10,15,19,29H,3-8,11-12H2,(H,27,30)(H,24,25,26)/t19-/m1/s1
- InChiKey: OJRJASQFNLOAKZ-LJQANCHMSA-N
Network
Hover on a compound node to display the structore
Synonyms
No synonyms found for this compound
Targets
Known targets for this compound
| Species | Target name | Source | Bibliographic reference |
|---|---|---|---|
| Homo sapiens | cyclin-dependent kinase 3 | Starlite/ChEMBL | References |
| Homo sapiens | cyclin A2 | Starlite/ChEMBL | References |
| Homo sapiens | mitogen-activated protein kinase 3 | Starlite/ChEMBL | References |
| Homo sapiens | mitogen-activated protein kinase 1 | Starlite/ChEMBL | References |
Predicted pathogen targets for this compound
By orthology
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 | mitogen-activated protein kinase 3 | 357 aa | 316 aa | 34.5 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | mitogen-activated protein kinase 1 | 360 aa | 361 aa | 33.2 % |
| Trypanosoma brucei | mitogen-activated protein kinase 5 | cyclin-dependent kinase 3 | 305 aa | 303 aa | 32.0 % |
Obtained from network model
Ranking Plot
Putative Targets List
| Species | Potential target | Raw | Global | Species |
|---|---|---|---|---|
| Echinococcus granulosus | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
| Brugia malayi | cell division control protein 2 homolog | 0.0053 | 0.3038 | 0.1723 |
| Echinococcus multilocularis | mitogen activated protein kinase 3 | 0.0124 | 1 | 1 |
| Echinococcus multilocularis | cyclin dependent kinase 5 | 0.0053 | 0.3038 | 0.1723 |
| Toxoplasma gondii | CMGC kinase, MAPK family (ERK) MAPK-1 | 0.0124 | 1 | 1 |
| Trypanosoma brucei | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
| Plasmodium vivax | protein kinase Crk2 | 0.0053 | 0.3038 | 0.5 |
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0053 | 0.3038 | 0.3038 |
| Trypanosoma cruzi | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Giardia lamblia | Kinase, CMGC MAPK | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
| Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
| Echinococcus granulosus | 5'partial|cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Loa Loa (eye worm) | hypothetical protein | 0.0052 | 0.2873 | 0.2873 |
| Echinococcus granulosus | mitogen activated protein kinase 3 | 0.0124 | 1 | 1 |
| Trypanosoma cruzi | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
| Plasmodium falciparum | protein kinase 5 | 0.0053 | 0.3038 | 0.5 |
| Onchocerca volvulus | 0.0039 | 0.1589 | 0.5 | |
| Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
| Echinococcus granulosus | cyclin dependent kinase 5 | 0.0053 | 0.3038 | 0.1723 |
| Echinococcus granulosus | cyclin dependent kinase | 0.0053 | 0.3038 | 0.1723 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0053 | 0.3038 | 1 |
| Loa Loa (eye worm) | CMGC/MAPK/ERK1 protein kinase | 0.0124 | 1 | 1 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | cyclin A, putative | 0.0039 | 0.1589 | 0.1254 |
| Echinococcus granulosus | mitogen activated protein kinase | 0.0124 | 1 | 1 |
| Brugia malayi | Protein kinase domain containing protein | 0.0053 | 0.3038 | 0.1723 |
| Giardia lamblia | Kinase, CMGC CDK | 0.0053 | 0.3038 | 0.1723 |
| Echinococcus multilocularis | cyclin dependent kinase | 0.0053 | 0.3038 | 0.1723 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
| Trypanosoma cruzi | mitogen-activated protein kinase 11, putative | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | CMGC/CDK/CDK5 protein kinase | 0.0053 | 0.3038 | 0.3038 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0124 | 1 | 1 |
| Leishmania major | cell division protein kinase 2,cdc2-related kinase | 0.0053 | 0.3038 | 0.1723 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0053 | 0.3038 | 0.1723 |
| Echinococcus multilocularis | cyclin dependent kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0053 | 0.3038 | 0.2761 |
| Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
| Trypanosoma brucei | mitogen activated protein kinase 4, putative | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.1589 | 0.1589 |
| Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
| Schistosoma mansoni | serine/threonine protein kinase | 0.0053 | 0.3038 | 0.1723 |
| Trypanosoma cruzi | mitogen activated protein kinase 2, putative | 0.0124 | 1 | 1 |
| Giardia lamblia | Kinase, CMGC CDK | 0.0053 | 0.3038 | 0.1723 |
| Loa Loa (eye worm) | CMGC/CDK/CDC2 protein kinase | 0.0053 | 0.3038 | 0.3038 |
| Entamoeba histolytica | cell division protein kinase 2, putative | 0.0053 | 0.3038 | 1 |
| Echinococcus multilocularis | mitogen activated protein kinase | 0.0124 | 1 | 1 |
| Leishmania major | cell division related protein kinase 2,cdc2-related kinase | 0.0053 | 0.3038 | 0.1723 |
| Trypanosoma cruzi | cdc2-related kinase 3 | 0.0053 | 0.3038 | 0.1723 |
| Leishmania major | mitogen activated protein kinase, putative,map kinase, putative | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | cyclin B, putative | 0.0039 | 0.1589 | 0.1254 |
| Trypanosoma brucei | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Trypanosoma cruzi | cdc2-related kinase 1 | 0.0053 | 0.3038 | 0.1723 |
| Trichomonas vaginalis | cyclins, putative | 0.0039 | 0.1589 | 0.1254 |
| Trypanosoma brucei | protein kinase, putative | 0.0124 | 1 | 1 |
| Trichomonas vaginalis | CMGC family protein kinase | 0.0124 | 1 | 1 |
| Leishmania major | mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 | 0.0124 | 1 | 1 |
| Loa Loa (eye worm) | hypothetical protein | 0.0039 | 0.1589 | 0.1589 |
| Trypanosoma cruzi | mitogen activated protein kinase 4, putative | 0.0124 | 1 | 1 |
Activities
| Activity type | Activity value | Assay description | Source | Reference |
|---|---|---|---|---|
| Activity (ADMET) | Toxicity in human HCT116 cells xenografted nude mouse assessed as body weight loss at 75 mg/kg, po bid for 21 days relative to control | ChEMBL. | 25603482 | |
| CL (ADMET) | = 33 ml/min.kg | Clearance in CD-1 mouse at 0.5 mg/kg, iv | ChEMBL. | 24813737 |
| EC50 (functional) | = 0.39 uM | Antiproliferative activity against human A375 cells expressing B-Raf V600E mutant after 72 hrs by Cell-Titre Blue assay | ChEMBL. | 24813737 |
| IC50 (binding) | = 2 nM | Inhibition of human recombinant N-terminal 6-His-tagged ERK2 expressed in Escherichia coli using S/T17 as substrate after 30 mins by spectrophotometry | ChEMBL. | 24813737 |
| IC50 (binding) | = 10 nM | Inhibition of Cdk2 (unknown origin) | ChEMBL. | 24813737 |
| IC50 (binding) | = 20 nM | Inhibition of ERK1/2-mediated P90RSK phosphorylation at Ser380 in PMA-stimulated human HepG2 cells compound pretreated for 1.5 hrs before PMA addition measured after 30 mins by immunofluorescence assay | ChEMBL. | 25603482 |
| IC50 (binding) | = 25 nM | Inhibition of ERK2 in human HepG2 cells assessed as P90RSK phosphorylation at Ser380 after 1.5 hrs by fluorescence assay | ChEMBL. | 24813737 |
| Inhibition (binding) | = -6.8 % | Inhibition of mTOR (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -5.5 % | Inhibition of HYL (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -5 % | Inhibition of GRK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -4.5 % | Inhibition of EPHB1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -4.5 % | Inhibition of KHS1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -4.3 % | Inhibition of MRCK alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -4 % | Inhibition of CK1 gamma-1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -4 % | Inhibition of PKC delta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -3.1 % | Inhibition of ERBB4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.6 % | Inhibition of EPHB4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.5 % | Inhibition of ACVR1B (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.5 % | Inhibition of B-Raf (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.3 % | Inhibition of FES (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.3 % | Inhibition of PKC epsilon (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.1 % | Inhibition of CHK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2.1 % | Inhibition of MST2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -2 % | Inhibition of EPHA8 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -1.5 % | Inhibition of CK2 alpha-1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -1.3 % | Inhibition of ROCK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -1.1 % | Inhibition of IKK alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -1.1 % | Inhibition of TAO1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.9 % | Inhibition of LTK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.9 % | Inhibition of MST1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.8 % | Inhibition of AXL (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.8 % | Inhibition of PKG2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.8 % | Inhibition of RON (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.7 % | Inhibition of CaMK1-delta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.7 % | Inhibition of FER (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.6 % | Inhibition of GRK7 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.3 % | Inhibition of PIM1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.2 % | Inhibition of BTK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = -0.1 % | Inhibition of AKT1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0 % | Inhibition of ARG (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0 % | Inhibition of ROCK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.1 % | Inhibition of EGFR (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.1 % | Inhibition of JAK3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.2 % | Inhibition of PLK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.3 % | Inhibition of FLT4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.3 % | Inhibition of PIM2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.4 % | Inhibition of Fgr (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.7 % | Inhibition of PKG1 alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.9 % | Inhibition of ABL (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 0.9 % | Inhibition of RSE (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.1 % | Inhibition of ROS (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.1 % | Inhibition of Srm (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.2 % | Inhibition of ALK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.2 % | Inhibition of CDK9/cyclinT1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.4 % | Inhibition of CK1 delta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.4 % | Inhibition of p70S6K (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.5 % | Inhibition of MLK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 1.8 % | Inhibition of RSK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.3 % | Inhibition of FAK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.3 % | Inhibition of GRK5 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.3 % | Inhibition of PLK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.4 % | Inhibition of CaMKI (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.4 % | Inhibition of CamK2-alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.4 % | Inhibition of FGFR1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.6 % | Inhibition of BLK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.7 % | Inhibition of FGFR4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.7 % | Inhibition of IRAK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.8 % | Inhibition of EPHA3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.8 % | Inhibition of MEK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.8 % | Inhibition of PHK gamma-1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.8 % | Inhibition of TSSK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.9 % | Inhibition of EPHB3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.9 % | Inhibition of GCK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.9 % | Inhibition of NEK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 2.9 % | Inhibition of SGK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3 % | Inhibition of JAK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.1 % | Inhibition of CamK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.2 % | Inhibition of BRSK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.5 % | Inhibition of CSK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.5 % | Inhibition of PRAK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.5 % | Inhibition of skMLCK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.6 % | Inhibition of IKK beta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 3.7 % | Inhibition of SRPK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4 % | Inhibition of DYRK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4 % | Inhibition of MARK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.2 % | Inhibition of Aurora-A (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.2 % | Inhibition of HIPK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.3 % | Inhibition of CHK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.3 % | Inhibition of JAK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.3 % | Inhibition of MAPKAPK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.3 % | Inhibition of PDGFR alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.4 % | Inhibition of CSF1R (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.4 % | Inhibition of DYRK1A (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.5 % | Inhibition of GRK6 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.6 % | Inhibition of Syk (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 4.8 % | Inhibition of MSSK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5 % | Inhibition of NEK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.2 % | Inhibition of EPHA2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.3 % | Inhibition of CK1 alpha-1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.5 % | Inhibition of BRK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.5 % | Inhibition of DCAMKL2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.6 % | Inhibition of AKT2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.7 % | Inhibition of YSK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.8 % | Inhibition of LCK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 5.8 % | Inhibition of RSK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6 % | Inhibition of PRKAA1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6 % | Inhibition of TBK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.2 % | Inhibition of MAP4K4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.2 % | Inhibition of PAK6 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.3 % | Inhibition of RSK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.4 % | Inhibition of HIPK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.5 % | Inhibition of EPHA4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.6 % | Inhibition of MKK6 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 6.8 % | Inhibition of CamK2-delta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7 % | Inhibition of FRK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7 % | Inhibition of PI3K-G (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7 % | Inhibition of YES (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.2 % | Inhibition of NEK9 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.3 % | Inhibition of LYN (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.3 % | Inhibition of MuSK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.3 % | Inhibition of NEK6 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.4 % | Inhibition of ERBB2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.5 % | Inhibition of FGFR2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 7.8 % | Inhibition of PAK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8 % | Inhibition of JNK1 alpha-1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.3 % | Inhibition of FYN (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.3 % | Inhibition of MSK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.6 % | Inhibition of eEF-2K (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.7 % | Inhibition of GRK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.8 % | Inhibition of Aurora-B (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 8.8 % | Inhibition of Src (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.3 % | Inhibition of Met (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.4 % | Inhibition of CLK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.4 % | Inhibition of DAPK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.4 % | Inhibition of INSR (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.4 % | Inhibition of IRR (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.4 % | Inhibition of KIT (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.7 % | Inhibition of RET (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 9.8 % | Inhibition of FLT1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 10.1 % | Inhibition of TIE2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 10.4 % | Inhibition of PASK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 10.5 % | Inhibition of PI3K-A (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 10.7 % | Inhibition of IGF1R (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 11.1 % | Inhibition of ITK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 11.1 % | Inhibition of PAK4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 11.2 % | Inhibition of RSK3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 11.4 % | Inhibition of CLK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 12.9 % | Inhibition of FGFR3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 13.2 % | Inhibition of SGK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 13.4 % | Inhibition of MARK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 13.9 % | Inhibition of HCK (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 14.6 % | Inhibition of KDR (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 14.7 % | Inhibition of FLT3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 15.3 % | Inhibition of PKC alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 15.8 % | Inhibition of DYRK3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 15.8 % | Inhibition of EPHA1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 16 % | Inhibition of PKC iota (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 16.1 % | Inhibition of MSK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 16.3 % | Inhibition of BMX (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 16.6 % | Inhibition of PKC gamma (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 17.9 % | Inhibition of PDK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 18.2 % | Inhibition of p38 beta (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 21.3 % | Inhibition of LRRK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 22.2 % | Inhibition of MST4 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 23 % | Inhibition of MST3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 25.1 % | Inhibition of PRK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 29.9 % | Inhibition of GSK3 alpha (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 30.5 % | Inhibition of TRKA (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 33.5 % | Inhibition of CDK1/cyclin B (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 42.9 % | Inhibition of MINK1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 45.3 % | Inhibition of PKD2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 59 % | Inhibition of PKD3 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 66.8 % | Inhibition of CDK5/p25 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 67.5 % | Inhibition of PKD1 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 84.5 % | Inhibition of PRKX (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Inhibition (binding) | = 101.1 % | Inhibition of ERK2 (unknown origin) at 100 nM | ChEMBL. | 24813737 |
| Kd (binding) | = 4.1 nM | Binding affinity to His-tagged recombinant human full length CDK2/Cyclin A after 60 mins by TR- FRET method | ChEMBL. | 25603482 |
| Ki (binding) | = 0.6 nM | Inhibition of 6-His tagged human ERK2 expressed in Escherichia coli measured over 30 mins by competition assay | ChEMBL. | 25603482 |
| PPB (ADMET) | = 82.4 % | Plasma protein binding in human | ChEMBL. | 24813737 |
| PPB (ADMET) | = 82.4 % | Plasma protein binding in human | ChEMBL. | 25603482 |
Phenotypes
Whole-cell/tissue/organism interactions
| Species name | Source | Reference | Is orphan |
|---|---|---|---|
| Homo sapiens | ChEMBL23 | 24813737 |
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
- ChEMBL: CHEMBL3298678
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.