Compound Detail
CHEMBL3775595
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CC1(C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O[C@@H]6O[C@H](CO[C@@H]7OC[C@H](O)[C@H](O)[C@H]7O)[C@@H](O)[C@H](O)[C@H]6NC(=O)/C=C/c6ccc(Cl)cc6)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
Basic Information
| ChEMBL ID | CHEMBL3775595 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UJJUZOCGTMYDDK-YTJBAQPOSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
914.6
MW (Da)
6.01
ALogP
11
HBA
7
HBD
204.5
PSA (Ų)
0.09
QED
4
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26922223 | 10.1016/j.ejmech.2015.12.034 | NON-PROTEIN TARGET | 2 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | HepG2 | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | MCF7 | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | HeLa | 1 |
| 26922223 | 10.1016/j.ejmech.2015.12.034 | A549 | 1 |
Data from ChEMBL 36 via Core Engine