Compound Detail
CHEMBL5558174
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C=CC(=O)Nc1ccc2c(c1)CCC(CN1CCN(c3ccc(C(=O)O)c(-c4ccccc4)c3)CC1)=C2c1ccc(Cl)cc1
Basic Information
| ChEMBL ID | CHEMBL5558174 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VNFRXLUOPVDHMB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
604.1
MW (Da)
7.40
ALogP
4
HBA
2
HBD
72.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 1 meas. best 6.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| BCL2A1/BID CHEMBL5169268 | Ki | 6.75 | 6.75 | 178.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| BCL2A1/BID | Ki | = | 178.0 | nM | 6.75 | Inhibition of BFL-1 (unknown origin)/ fluorescein-tagged Bid BH3 peptide (79 to ... | 38913996 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38913996 | 10.1021/acs.jmedchem.4c00291 | BCL2A1/BID | 1 |
Data from ChEMBL 36 via Core Engine