Compound Detail
CHEMBL1914929
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CC(=O)O[C@@H]1C[C@]2(C)[C@H]3CC=C4[C@@H]5CC(C)(C)CC[C@]5(C(N)=O)CC[C@@]4(C)[C@]3(C)CC[C@H]2C(C)(C)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL1914929 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ABKKNMCMHOEQAN-LULZRBEKSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
555.8
MW (Da)
6.75
ALogP
5
HBA
1
HBD
95.7
PSA (Ų)
0.31
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22019227 | 10.1016/j.ejmech.2011.10.011 | B16-F10 | 1 |
| 26383128 | 10.1016/j.ejmech.2015.09.007 | Acetylcholinesterase | 1 |
| 26383128 | 10.1016/j.ejmech.2015.09.007 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine