Compound Detail
CHEMBL3775948
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CCCc1nc(C(C)(C)O)c(C(=O)O)n1Cc1ccc(-c2cc(Cc3ccc(O)cc3)ccc2-c2nnn[nH]2)cc1
Basic Information
| ChEMBL ID | CHEMBL3775948 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PVSGVFQCIQETEK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
552.6
MW (Da)
4.95
ALogP
8
HBA
4
HBD
150.0
PSA (Ų)
0.19
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 1 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | Kd | 7.68 | 7.68 | 21.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | Kd | = | 21.0 | nM | 7.68 | Displacement of 125I-[Sar1, Ile8] AngII from rat AT1 receptor expressed in COS1 ... | 26390077 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26390077 | 10.1021/acs.jmedchem.5b00982 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine