Compound Detail
CHEMBL2375699
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CC(=O)O[C@H]1CC[C@]2(C)[C@H]3[C@@H](O)c4c(cc(-c5cccnc5)oc4=O)O[C@]3(C)[C@@H](OC(=O)c3ccc(C#N)cc3)C[C@H]2[C@]1(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL2375699 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JDRFTRQWGQIASU-VRKOFYPXSA-N |
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
642.7
MW (Da)
4.44
ALogP
11
HBA
2
HBD
186.2
PSA (Ų)
0.37
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 9.0 | hr | Rattus norvegicus |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23535327 | 10.1016/j.bmcl.2013.02.088 | Sterol O-acyltransferase 2 | 1 |
| 23535327 | 10.1016/j.bmcl.2013.02.088 | Sterol O-acyltransferase 1 | 1 |
Data from ChEMBL 36 via Core Engine