Compound Detail
CHEMBL4097881
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C[C@H](CCC(=O)NCc1cc(Cl)cc(Cl)c1)[C@H]1CC[C@H]2[C@@H]3[C@@H](O)C[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL4097881 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XABGOCPPRYETHH-MBMYFEABSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
550.6
MW (Da)
7.02
ALogP
3
HBA
3
HBD
69.6
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28165241 | 10.1021/acs.jmedchem.6b01743 | Autotaxin | 1 |
Data from ChEMBL 36 via Core Engine