Compound Detail
CHEMBL220241
GSK-269962A Enter ChEMBL ID:
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CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCOCC5)cc4)c3)cc21
Basic Information
| ChEMBL ID | CHEMBL220241 |
| Name | GSK-269962A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YOVNFNXUCOWYSG-UHFFFAOYSA-N |
283
Targets
422
Activities
2
Assay Types
5
PK Parameters
20
Publications
0
Known Names
Molecular Properties
570.6
MW (Da)
3.84
ALogP
12
HBA
2
HBD
155.7
PSA (Ų)
0.25
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 378 meas. best 9.86
Ki 44 meas. best 8.5
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| SR CHEMBL614300 | IC50 | 9.86 | 9.86 | 0.1 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 8.8 | 8.02 | 1.6 | 6 |
| Ribosomal protein S6 kinase beta-1 CHEMBL4501 | Ki | 8.5 | 8.5 | 3.2 | 1 |
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.4 | 8.0033 | 4.0 | 3 |
| KS-1 CHEMBL2366228 | IC50 | 8.34 | 8.34 | 4.6 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 8.3 | 8.3 | 5.0 | 1 |
| GI-1 CHEMBL2366272 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| BB49-HNC CHEMBL2366295 | IC50 | 8.1 | 8.1 | 7.9 | 1 |
| Serine/threonine-protein kinase N2 CHEMBL3032 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Protein kinase C zeta type CHEMBL3438 | Ki | 7.6 | 7.6 | 25.1 | 1 |
| Protein kinase C iota type CHEMBL2598 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| cAMP-dependent protein kinase catalytic subunit alpha CHEMBL4101 | Ki | 7.5 | 7.5 | 31.6 | 1 |
| Aorta CHEMBL613606 | IC50 | 7.46 | 7.46 | 35.0 | 2 |
| Ribosomal protein S6 kinase alpha-3 CHEMBL2345 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| cGMP-dependent protein kinase 2 CHEMBL2896 | Ki | 7.4 | 7.4 | 39.8 | 1 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | IC50 | 7.31 | 7.31 | 49.0 | 1 |
| GI-ME-N CHEMBL2366074 | IC50 | 7.3 | 7.3 | 49.5 | 1 |
| Glycogen synthase kinase-3 alpha CHEMBL2850 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| cAMP-dependent protein kinase catalytic subunit PRKX CHEMBL5818 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Testis-specific serine/threonine-protein kinase 1 CHEMBL6003 | Ki | 7.3 | 7.3 | 50.1 | 1 |
| Glycogen synthase kinase-3 beta CHEMBL262 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| Ribosomal protein S6 kinase alpha-5 CHEMBL4237 | Ki | 7.2 | 7.2 | 63.1 | 1 |
| MHH-NB-11 CHEMBL2366185 | IC50 | 7.17 | 7.17 | 66.9 | 1 |
| Cell division cycle 7-related protein kinase CHEMBL5443 | Ki | 7.1 | 7.1 | 79.4 | 1 |
| D-263MG CHEMBL2366183 | IC50 | 7.07 | 7.07 | 85.1 | 1 |
| Ribosomal protein S6 kinase alpha-1 CHEMBL2553 | IC50 | 6.88 | 6.88 | 132.0 | 1 |
| NB10 CHEMBL2366243 | IC50 | 6.86 | 6.86 | 137.8 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 6.86 | 6.86 | 139.2 | 1 |
| BE-13 CHEMBL2366303 | IC50 | 6.85 | 6.85 | 140.8 | 1 |
| cGMP-dependent protein kinase 1 CHEMBL4273 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Serine/threonine-protein kinase MRCK alpha CHEMBL4516 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Serine/threonine-protein kinase 17A CHEMBL4525 | Ki | 6.8 | 6.8 | 158.5 | 1 |
| Serine/threonine-protein kinase Sgk2 CHEMBL5794 | Ki | 6.7 | 6.7 | 199.5 | 1 |
| ES6 CHEMBL2366373 | IC50 | 6.61 | 6.61 | 247.3 | 1 |
| Protein kinase C gamma type CHEMBL2938 | Ki | 6.6 | 6.6 | 251.2 | 1 |
| 697 CHEMBL2366253 | IC50 | 6.52 | 6.52 | 299.1 | 1 |
| Serine/threonine-protein kinase pim-1 CHEMBL2147 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| Serine/threonine-protein kinase PLK4 CHEMBL3788 | Ki | 6.5 | 6.5 | 316.2 | 1 |
| RXF 393 CHEMBL614886 | IC50 | 6.41 | 6.41 | 393.0 | 1 |
| QIMR-WIL CHEMBL2366337 | IC50 | 6.31 | 6.31 | 490.0 | 1 |
| Death-associated protein kinase 3 CHEMBL2468 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| RAC-alpha serine/threonine-protein kinase CHEMBL4282 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| Aurora kinase A CHEMBL4722 | Ki | 6.3 | 6.3 | 501.2 | 1 |
| KGN CHEMBL2366154 | IC50 | 6.25 | 6.25 | 567.4 | 1 |
| MRK-nu-1 CHEMBL2366325 | IC50 | 6.24 | 6.24 | 575.7 | 1 |
| NB6 CHEMBL2366318 | IC50 | 6.23 | 6.23 | 591.1 | 1 |
| D-336MG CHEMBL2366113 | IC50 | 6.2 | 6.2 | 628.5 | 1 |
| D-247MG CHEMBL2366237 | IC50 | 6.2 | 6.2 | 628.1 | 1 |
| RAC-beta serine/threonine-protein kinase CHEMBL2431 | Ki | 6.2 | 6.2 | 631.0 | 1 |
| Dual specificity protein kinase CLK4 CHEMBL4203 | Ki | 6.2 | 6.2 | 631.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 7.6 | mL.min-1.kg-1 | Rattus norvegicus |
| Cmax | 2225.69 | nM | Rattus norvegicus |
| Cmax | 1402.01 | nM | Rattus norvegicus |
| F | 78.0 | % | Rattus norvegicus |
| T1/2 | 2.2 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine