Compound Detail
CHEMBL498629
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CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CCC4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
Basic Information
| ChEMBL ID | CHEMBL498629 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UIMGHSAOLFTOBF-DPAQBDIFSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
386.7
MW (Da)
7.39
ALogP
1
HBA
1
HBD
20.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19473028 | 10.1021/jm9003973 | HT-29 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | DU-4475 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | MDA-MB-468 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | PC-3 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | NON-PROTEIN TARGET | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | HCT-116 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | MDA-MB-231 | 1 |
| 21036050 | 10.1016/j.bmc.2010.10.010 | DU-145 | 1 |
Data from ChEMBL 36 via Core Engine