Compound Detail
CHEMBL5748498
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COC[C@@]1(O)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Cn4cc(C(=O)N(C)C)cn4)CC[C@@H]32)C1
Basic Information
| ChEMBL ID | CHEMBL5748498 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSBLBAXRGXDIPI-YDVSMVCOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
499.7
MW (Da)
4.19
ALogP
6
HBA
1
HBD
84.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 CHEMBL2753 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.52 | 7.52 | 30.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gamma-aminobutyric acid type B receptor subunit 1 | IC50 | = | 30.0 | nM | 7.52 | TBD: TBD | - |
| Unchecked | IC50 | = | 30.0 | nM | 7.52 | Steroid Inhibition of TBPS Binding: Briefly, cortices are rapidly removed follow... | - |
Data from ChEMBL 36 via Core Engine