Compound Detail
CHEMBL263850
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CO[C@@H]1C[C@H](C[C@@H](C)[C@@H]2CC(=O)[C@H](C)/C=C(\C)[C@@H](O)[C@@H](OC)C(=O)[C@H](C)C[C@H](C)/C=C/C=C/C=C(\C)[C@H](c3ccc(C)s3)C[C@@H]3CC[C@@H](C)[C@@](O)(O3)C(=O)C(=O)N3CCCC[C@H]3C(=O)O2)CC[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL263850 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SDSGJAIFUCCAOV-MSLSVLDMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
980.3
MW (Da)
8.32
ALogP
13
HBA
3
HBD
186.2
PSA (Ų)
0.14
QED
3
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Homo sapiens CHEMBL372 | IC50 | 6.66 | 6.66 | 221.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Homo sapiens | IC50 | = | 221.0 | nM | 6.66 | Inhibitory activity against human concanavalin-A proliferation assay | 10888319 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Candida albicans | 6 |
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Candida tropicalis | 1 |
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Pichia kudriavzevii | 1 |
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Nakaseomyces glabratus | 1 |
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Homo sapiens | 1 |
| 10888319 | 10.1016/s0960-894x(00)00184-0 | Aspergillus niger | 1 |
Data from ChEMBL 36 via Core Engine