Compound Detail
CHEMBL509065
CONOCURVONE Enter ChEMBL ID:
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CC(C)=CCC[C@]1(C)C=Cc2c(ccc3c2C(=O)C(O)=C(C2=C(C4=C(O)C(=O)c5c(ccc6c5C=C[C@@](C)(CCC=C(C)C)O6)C4=O)C(=O)c4c(ccc5c4C=C[C@@](C)(CCC=C(C)C)O5)C2=O)C3=O)O1
Basic Information
| ChEMBL ID | CHEMBL509065 |
| Name | CONOCURVONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJDNMADFCZSLQD-UPMPAGDASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
953.1
MW (Da)
12.88
ALogP
11
HBA
2
HBD
170.6
PSA (Ų)
0.18
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 20.0 | nM | 7.7 | Antiviral activity against HIV1 in human CEM-SS cells assessed as inhibition of ... | 11430019 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 11430019 | 10.1021/np0003995 | Human immunodeficiency virus 1 | 1 |
| 11430019 | 10.1021/np0003995 | ADMET | 1 |
| 21333535 | 10.1016/j.bmcl.2011.01.109 | Hepatitis B virus | 1 |
| 21333535 | 10.1016/j.bmcl.2011.01.109 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine