Compound Detail
CHEMBL380308
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CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)C(C)(C)CC(=O)O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C(=O)NCCCCCCCCCCC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL380308 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AZVMVVPRAILGPO-ZQRRDRGJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
768.1
MW (Da)
10.91
ALogP
5
HBA
3
HBD
130.0
PSA (Ų)
0.08
QED
2
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9 CHEMBL614806 | EC50 | 5.03 | 5.03 | 9300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9 | EC50 | = | 9300.0 | nM | 5.03 | Antiviral activity against HIV1 3B in H9 lymphocytes | 16942019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16942019 | 10.1021/jm0601912 | H9 | 2 |
| 16942019 | 10.1021/jm0601912 | ADMET | 1 |
| 16942019 | 10.1021/jm0601912 | MT4 | 1 |
Data from ChEMBL 36 via Core Engine