Compound Detail
CHEMBL5083608
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Basic Information
| ChEMBL ID | CHEMBL5083608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BAWMBGZQLMTXMP-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
4
Publications
0
Known Names
Molecular Properties
465.5
MW (Da)
4.21
ALogP
7
HBA
3
HBD
114.0
PSA (Ų)
0.44
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.65 | 6.65 | 226.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 18.33 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 226.0 | nM | 6.65 | Antiproliferative activity against human A2780 cells assessed as inhibition of c... | 34264057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34264057 | 10.1021/acs.jmedchem.1c01000 | Unchecked | 2 |
| 34264057 | 10.1021/acs.jmedchem.1c01000 | ADMET | 2 |
| 34264057 | 10.1021/acs.jmedchem.1c01000 | No relevant target | 1 |
| 34264057 | 10.1021/acs.jmedchem.1c01000 | A2780 | 1 |
Data from ChEMBL 36 via Core Engine