Compound Detail
CHEMBL4587841
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CC(=O)O[C@H]1C[C@@]2(C)[C@@H](C[C@@H](O)[C@H]3[C@@]4(C)CC[C@@H](O)[C@@H](C)[C@@H]4CC[C@@]32C)/C1=C(\CCC=C(C)C)C(=O)NC(C)c1ccc(Cl)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL4587841 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SKCICMZGWPMEPS-CNTVASAESA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
688.8
MW (Da)
8.77
ALogP
5
HBA
3
HBD
95.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31303994 | 10.1039/C9MD00161A | Mycobacterium tuberculosis | 2 |
| 31303994 | 10.1039/C9MD00161A | CHO-K1 | 1 |
Data from ChEMBL 36 via Core Engine