Compound Detail
CHEMBL4786559
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COC[C@H](C)N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCC4(C#N)CCOCC4)n3)c(Cl)cn2)CC1
Basic Information
| ChEMBL ID | CHEMBL4786559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XWQVQSXLXAXOPJ-ACRUOGEOSA-N |
14
Targets
14
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
513.1
MW (Da)
4.88
ALogP
8
HBA
3
HBD
104.1
PSA (Ų)
0.41
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 14 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| OCI-Ly10 CHEMBL4483285 | IC50 | 8.68 | 8.68 | 2.1 | 1 |
| CCRF-CEM CHEMBL382 | IC50 | 8.48 | 8.48 | 3.3 | 1 |
| Z-138 CHEMBL4483276 | IC50 | 8.43 | 8.43 | 3.7 | 1 |
| CDK9/cyclin T1 CHEMBL2111389 | IC50 | 8.3 | 8.3 | 5.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 8.28 | 8.28 | 5.2 | 1 |
| MV4-11 CHEMBL613835 | IC50 | 8.27 | 8.27 | 5.4 | 1 |
| HL-60 CHEMBL383 | IC50 | 8.24 | 8.24 | 5.7 | 1 |
| MM1.S CHEMBL4296471 | IC50 | 8.2 | 8.2 | 6.3 | 1 |
| Kasumi 1 CHEMBL613988 | IC50 | 8.17 | 8.17 | 6.8 | 1 |
| MOLT-4 CHEMBL614177 | IC50 | 8.05 | 8.05 | 9.0 | 1 |
| JeKo-1 CHEMBL4296445 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Raji CHEMBL614628 | IC50 | 7.96 | 7.96 | 11.0 | 1 |
| RPMI-8226 CHEMBL614882 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
| TMD8 CHEMBL4296503 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine