Compound Detail
CHEMBL3945287
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COC1(Cn2ncc(-c3ccc(N4CCc5cccc(C(=O)Nc6nc7ccccc7s6)c5C4)nc3C(=O)O)c2C)CCCC(C)(C)C1
Basic Information
| ChEMBL ID | CHEMBL3945287 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PCJOKOQMKUYYRS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
664.8
MW (Da)
7.36
ALogP
9
HBA
2
HBD
122.5
PSA (Ų)
0.18
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Bcl-2-like protein 1 CHEMBL3309112 | EC50 | 9.52 | 9.52 | 0.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Bcl-2-like protein 1 | EC50 | = | 0.3 | nM | 9.52 | FL5.12 Cellular Assay: The efficacy of the compounds of Formula (I) can also be ... | - |
Data from ChEMBL 36 via Core Engine