Compound Detail
CHEMBL4551488
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COC(=O)[C@]1(C)CCC[C@]2(C)c3cc(OC(C)=O)c(C(C)C)cc3C(=O)C[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL4551488 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DYWGHWWGHQMUBE-YMPZKCBVSA-N |
8
Targets
9
Activities
2
Assay Types
0
PK Parameters
18
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.56
ALogP
5
HBA
0
HBD
69.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.19
EC50 4 meas. best 4.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Leishmania amazonensis CHEMBL612877 | IC50 | 6.19 | 6.19 | 650.0 | 1 |
| Leishmania infantum CHEMBL612848 | IC50 | 6.16 | 6.16 | 700.0 | 1 |
| Leishmania guyanensis CHEMBL612793 | IC50 | 5.89 | 5.89 | 1300.0 | 1 |
| Leishmania donovani CHEMBL367 | IC50 | 5.36 | 5.36 | 4400.0 | 1 |
| NALM-6 CHEMBL614187 | EC50 | 4.97 | 4.97 | 10700.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 4.91 | 4.91 | 12200.0 | 1 |
| KOPN-8 CHEMBL4296456 | EC50 | 4.73 | 4.73 | 18500.0 | 1 |
| SUP-B15 CHEMBL4296498 | EC50 | 4.66 | 4.66 | 21700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
Literature References
Data from ChEMBL 36 via Core Engine