Compound Detail
CHEMBL323752
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COC[C@H]1[C@@H](OC(=O)N[C@@H](Cc2ccccc2)[C@H](O)CN2C[C@H]3CCCC[C@H]3C[C@H]2C(=O)NC(C)(C)C)CCS1(=O)=O
Basic Information
| ChEMBL ID | CHEMBL323752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GOUHZFOYJFSEKP-PMJXQHFJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
607.8
MW (Da)
2.68
ALogP
8
HBA
3
HBD
134.3
PSA (Ų)
0.37
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.62
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | IC50 | 7.62 | 7.62 | 23.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | IC50 | = | 23.8 | nM | 7.62 | Inhibition of HIV-1 replication in infected MT-4 human T-lymphoid cells. | 8765511 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8765511 | 10.1021/jm960128k | Human immunodeficiency virus 1 | 1 |
Data from ChEMBL 36 via Core Engine