Compound Detail
CHEMBL375731
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C=C1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@](C)(CCC(=O)O)[C@H](C(=C)C)CC[C@]43C)[C@@H]2[C@H]1C
Basic Information
| ChEMBL ID | CHEMBL375731 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KAKDSTYYULDNHW-MHISZOMXSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
8.28
ALogP
1
HBA
1
HBD
37.3
PSA (Ų)
0.45
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17346076 | 10.1021/np060631s | ADMET | 4 |
| 17346076 | 10.1021/np060631s | KB | 1 |
| 17346076 | 10.1021/np060631s | K562 | 1 |
| 17346076 | 10.1021/np060631s | MCF7 | 1 |
| 17346076 | 10.1021/np060631s | COLO 205 | 1 |
Data from ChEMBL 36 via Core Engine