Compound Detail
CHEMBL275087
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CC1=C(CCC(=O)O)c2cc3[nH]c(cc4[nH]c(cc5nc(cc1n2)C(CCC(=O)O)=C5CC(=O)O)c(CCC(=O)O)c4C)c(CCC(=O)O)c3CC(=O)O
Basic Information
| ChEMBL ID | CHEMBL275087 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VABIWCFEFIHDBJ-WQXWIIHOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
742.7
MW (Da)
5.33
ALogP
8
HBA
8
HBD
281.2
PSA (Ų)
0.09
QED
3
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 4.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 4.68 | 4.68 | 20686.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 20686.0 | nM | 4.68 | Inhibition of HIV-1 P24 production. | 8164251 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8164251 | 10.1021/jm00034a007 | Human immunodeficiency virus 1 | 2 |
Data from ChEMBL 36 via Core Engine