Compound Detail
CHEMBL5176353
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Cl.N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2c(O)c(-c3ccccc3)c[nH]c2=O)cc1
Basic Information
| ChEMBL ID | CHEMBL5176353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IOWPPFLTQZJXMM-BQAIUKQQSA-N |
| Parent Compound | CHEMBL3263107 |
| Active Moiety | CHEMBL3263107 |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
464.5
MW (Da)
4.40
ALogP
4
HBA
5
HBD
124.0
PSA (Ų)
0.26
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RuvB-like 1 CHEMBL3259467 | IC50 | 5.05 | 5.05 | 9000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RuvB-like 1 | IC50 | = | 9000.0 | nM | 5.05 | Inhibition of RUVBL1 (unknown origin) | 35364523 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35364523 | 10.1016/j.bmc.2022.116726 | RuvB-like 1 | 1 |
Data from ChEMBL 36 via Core Engine