Compound Detail
CHEMBL393929
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Basic Information
| ChEMBL ID | CHEMBL393929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XOLMRFUGOINFDQ-YBEGLDIGSA-N |
260
Targets
583
Activities
2
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
351.5
MW (Da)
4.06
ALogP
5
HBA
1
HBD
54.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 577 meas. best 7.72
Ki 6 meas. best 7.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cyclin-dependent kinase 1 CHEMBL308 | IC50 | 7.72 | 6.1567 | 19.0 | 6 |
| Cyclin-dependent kinase 1 CHEMBL308 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Unchecked CHEMBL612545 | Ki | 7.46 | 7.46 | 35.0 | 1 |
| Cyclin-dependent kinase 1/cyclin B1 CHEMBL1907602 | IC50 | 7.33 | 7.33 | 47.0 | 1 |
| Cyclin-dependent kinase 2/cyclin E1 CHEMBL1907605 | IC50 | 6.73 | 6.73 | 186.0 | 1 |
| CDK2/Cyclin A2 CHEMBL3038469 | IC50 | 6.6 | 6.6 | 253.0 | 1 |
| Protein kinase C delta type CHEMBL2996 | Ki | 6.5 | 6.5 | 320.0 | 1 |
| Cyclin-dependent kinase 2 CHEMBL301 | Ki | 6.47 | 6.47 | 340.0 | 1 |
| Glycogen synthase kinase-3 CHEMBL2095188 | Ki | 6.3 | 6.3 | 500.0 | 1 |
| SNU1 CHEMBL614931 | IC50 | 6.14 | 6.14 | 731.0 | 1 |
| Aurora kinase B CHEMBL2185 | IC50 | 6.09 | 6.09 | 815.0 | 1 |
| H4 CHEMBL1075452 | IC50 | 5.94 | 5.94 | 1158.8 | 1 |
| PA-1 CHEMBL614949 | IC50 | 5.91 | 5.91 | 1226.5 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| T98G CHEMBL614775 | IC50 | 5.86 | 5.86 | 1368.1 | 1 |
| SW1710 CHEMBL1075590 | IC50 | 5.79 | 5.79 | 1614.1 | 1 |
| U-251 CHEMBL615022 | IC50 | 5.79 | 5.79 | 1637.7 | 1 |
| ALL-PO CHEMBL2366294 | IC50 | 5.72 | 5.72 | 1908.1 | 1 |
| SK-N-DZ CHEMBL1075579 | IC50 | 5.7 | 5.7 | 2018.8 | 1 |
| Mitogen-activated protein kinase 1 CHEMBL4040 | Ki | 5.7 | 5.7 | 2000.0 | 1 |
| A4-Fuk CHEMBL2366356 | IC50 | 5.69 | 5.69 | 2056.0 | 1 |
| 639-V CHEMBL1075383 | IC50 | 5.64 | 5.64 | 2275.4 | 1 |
| Hs-578T CHEMBL614645 | IC50 | 5.64 | 5.64 | 2278.0 | 1 |
| Cyclin-dependent kinase 5/CDK5 activator 1 CHEMBL1907600 | IC50 | 5.61 | 5.61 | 2480.0 | 1 |
| UMUC3 CHEMBL612799 | IC50 | 5.56 | 5.56 | 2739.4 | 1 |
| BPH-1 CHEMBL2366131 | IC50 | 5.53 | 5.53 | 2974.6 | 1 |
| 5637 CHEMBL612565 | IC50 | 5.51 | 5.51 | 3085.3 | 1 |
| 8-MG-BA CHEMBL2366115 | IC50 | 5.5 | 5.5 | 3140.5 | 1 |
| HCT-116 CHEMBL394 | IC50 | 5.5 | 5.105 | 3200.0 | 2 |
| LB1047-RCC CHEMBL2366136 | IC50 | 5.49 | 5.49 | 3235.0 | 1 |
| KOSC-2 CHEMBL1075481 | IC50 | 5.46 | 5.46 | 3446.6 | 1 |
| COR-L88 CHEMBL2366329 | IC50 | 5.46 | 5.46 | 3475.8 | 1 |
| PSN1 CHEMBL614241 | IC50 | 5.39 | 5.39 | 4108.1 | 1 |
| LXF-289 cell line CHEMBL614107 | IC50 | 5.38 | 5.38 | 4217.6 | 1 |
| MN-60 CHEMBL2366070 | IC50 | 5.36 | 5.36 | 4376.2 | 1 |
| NEC8 CHEMBL2366340 | IC50 | 5.35 | 5.35 | 4470.8 | 1 |
| SJSA-1 CHEMBL2366298 | IC50 | 5.34 | 4.76 | 4550.0 | 2 |
| NCI-H2405 CHEMBL1075539 | IC50 | 5.32 | 5.32 | 4744.9 | 1 |
| YH-13 CHEMBL2366164 | IC50 | 5.32 | 5.32 | 4757.8 | 1 |
| SK-MEL-2 CHEMBL614917 | IC50 | 5.29 | 5.29 | 5096.3 | 1 |
| GAMG CHEMBL1075447 | IC50 | 5.27 | 5.27 | 5371.5 | 1 |
| NB13 CHEMBL2366225 | IC50 | 5.27 | 5.27 | 5327.9 | 1 |
| NCI-H1792 CHEMBL1075525 | IC50 | 5.26 | 5.26 | 5479.5 | 1 |
| HGC-27 CHEMBL1075463 | IC50 | 5.24 | 5.24 | 5730.8 | 1 |
| KP-4 CHEMBL1075482 | IC50 | 5.24 | 5.24 | 5698.2 | 1 |
| GCT CHEMBL1075448 | IC50 | 5.23 | 5.23 | 5851.2 | 1 |
| PFSK-1 CHEMBL1075560 | IC50 | 5.23 | 5.23 | 5861.7 | 1 |
| A 172 CHEMBL614512 | IC50 | 5.23 | 5.23 | 5907.9 | 1 |
| HN CHEMBL1075465 | IC50 | 5.22 | 5.22 | 5971.0 | 1 |
| HO-1-N-1 CHEMBL1075466 | IC50 | 5.22 | 5.22 | 5954.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine