Compound Detail
CHEMBL4519710
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CC(=O)OC[C@](C)(O)[C@H]1C[C@@H](O)[C@]2(C)Oc3cc(-c4cccnc4)oc(=O)c3[C@H](O)[C@H]2C1
Basic Information
| ChEMBL ID | CHEMBL4519710 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DAMNHPBVADWBQN-NWEBNPNNSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
445.5
MW (Da)
1.59
ALogP
9
HBA
3
HBD
139.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.09
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 CHEMBL4465 | IC50 | 7.09 | 7.09 | 81.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Sterol O-acyltransferase 2 | IC50 | = | 81.0 | nM | 7.09 | Inhibition of ACAT2 in human HepG2 cells using NBD22-labeled sterol as substrate... | - |
| Sterol O-acyltransferase 2 | IC50 | = | 81.0 | nM | 7.09 | Inhibitory Effect on ACAT2 Activity: 1. Purpose:The analogues of Pyripyropene A ... | - |
Data from ChEMBL 36 via Core Engine