Compound Detail
CHEMBL429013
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O=C(O)CCC1=C(CC(=O)O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(CC(=O)O)c5CCC(=O)O)c(CC(=O)O)c4CCC(=O)O)C(CC(=O)O)=C3CCC(=O)O
Basic Information
| ChEMBL ID | CHEMBL429013 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MOTVYDVWODTRDF-JRHDEHKPSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
830.8
MW (Da)
4.10
ALogP
10
HBA
10
HBD
355.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
20
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.04 | 5.04 | 9037.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 9037.0 | nM | 5.04 | 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