Compound Detail
CHEMBL1269517
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CC1(C)[C@@H](OC(=O)CN)CC[C@]2(C)[C@H]3C(=O)C=C4[C@@H]5C[C@@](C)(C(=O)O)CC[C@]5(C)CC[C@@]4(C)[C@]3(C)CC[C@@H]12.Cl
Basic Information
| ChEMBL ID | CHEMBL1269517 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCMKEVXXLFLBFM-LQMROMBFSA-N |
| Parent Compound | CHEMBL1618000 |
| Active Moiety | CHEMBL1618000 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
527.8
MW (Da)
5.92
ALogP
5
HBA
2
HBD
106.7
PSA (Ų)
0.44
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20932766 | 10.1016/j.bmc.2010.08.054 | NON-PROTEIN TARGET | 2 |
| 20932766 | 10.1016/j.bmc.2010.08.054 | 8505C | 1 |
| 20932766 | 10.1016/j.bmc.2010.08.054 | A2780 | 1 |
| 20932766 | 10.1016/j.bmc.2010.08.054 | A549 | 1 |
| 20932766 | 10.1016/j.bmc.2010.08.054 | DLD-1 | 1 |
| 24853320 | 10.1016/j.bmc.2014.04.046 | Acetylcholinesterase | 1 |
| 24853320 | 10.1016/j.bmc.2014.04.046 | Cholinesterase | 1 |
Data from ChEMBL 36 via Core Engine