Compound Detail
CHEMBL118640
IRCINOL A Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
OC1=C[C@@]2(O)CC/C=C\CCCCN3CC[C@@H]1[C@]1(C[C@@H]4/C=C\CCCCN4[C@H]12)C3
Basic Information
| ChEMBL ID | CHEMBL118640 |
| Name | IRCINOL A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTZJRAWTCRMLB-LHZSHTANSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
13
Publications
0
Known Names
Molecular Properties
398.6
MW (Da)
4.18
ALogP
4
HBA
2
HBD
46.9
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 5.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Human immunodeficiency virus 1 CHEMBL378 | EC50 | 5.37 | 5.37 | 4300.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Human immunodeficiency virus 1 | EC50 | = | 4300.0 | nM | 5.37 | Effective concentration against HIV-1 | 15214779 |
| Human immunodeficiency virus 1 | EC50 | = | 4300.0 | nM | 5.37 | Antiviral activity against HIV1 infected in human PBMCs | 15332848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15214779 | 10.1021/jm030475b | Staphylococcus aureus | 2 |
| 12828469 | 10.1021/np020592u | Leishmania donovani | 2 |
| 15332848 | 10.1021/np0400095 | Plasmodium falciparum | 2 |
| 15332848 | 10.1021/np0400095 | Leishmania donovani | 2 |
| 15332848 | 10.1021/np0400095 | Staphylococcus aureus | 2 |
| 15214779 | 10.1021/jm030475b | Cryptococcus neoformans | 1 |
| 15214779 | 10.1021/jm030475b | Mycobacterium intracellulare | 1 |
| 15214779 | 10.1021/jm030475b | Human immunodeficiency virus 1 | 1 |
| 15332848 | 10.1021/np0400095 | Vero | 1 |
| 15332848 | 10.1021/np0400095 | Cryptococcus neoformans | 1 |
| 15332848 | 10.1021/np0400095 | Mycobacterium intracellulare | 1 |
| 15332848 | 10.1021/np0400095 | Human immunodeficiency virus 1 | 1 |
| 15332848 | 10.1021/np0400095 | Mycobacterium tuberculosis | 1 |
Data from ChEMBL 36 via Core Engine