Compound Detail
CHEMBL3639767
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Basic Information
| ChEMBL ID | CHEMBL3639767 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHIQLVPUVUOZHY-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
314.8
MW (Da)
3.45
ALogP
3
HBA
0
HBD
49.3
PSA (Ų)
0.82
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 8.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL4430 | IC50 | 8.57 | 8.57 | 2.7 | 2 |
| Steroid 17-alpha-hydroxylase/17,20 lyase CHEMBL3522 | IC50 | 8.1 | 8.1 | 8.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 2.7 | nM | 8.57 | Inhibition Assay: Assay method was adopted from a published protocol with some m... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 2.7 | nM | 8.57 | CYP17-Lyase Assay: Assay method was adopted from a published protocol with some ... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 8.0 | nM | 8.1 | Inhibition Assay: Assay method was adopted from a published protocol with some m... | - |
| Steroid 17-alpha-hydroxylase/17,20 lyase | IC50 | = | 8.0 | nM | 8.1 | CYP17-Lyase Assay: Assay method was adopted from a published protocol with some ... | - |
Data from ChEMBL 36 via Core Engine