Compound Detail
CHEMBL5082883
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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(N3CCN(C(=O)CNC(=O)/C=C/CN(C)C)CC3)cc2)ncc1Cl
Basic Information
| ChEMBL ID | CHEMBL5082883 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CHSRFNKKYIWQQQ-RMKNXTFCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
606.1
MW (Da)
2.86
ALogP
9
HBA
4
HBD
134.8
PSA (Ų)
0.24
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34757216 | 10.1016/j.bmcl.2021.128433 | HeLa | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | HCT-116 | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | MDA-MB-231 | 1 |
| 34757216 | 10.1016/j.bmcl.2021.128433 | Focal adhesion kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine