Compound Detail
CHEMBL3233721
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CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3
Basic Information
| ChEMBL ID | CHEMBL3233721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGDVSJLOTVQNKY-CCJYTWKCSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
15
Publications
0
Known Names
Molecular Properties
440.7
MW (Da)
7.45
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.39
QED
1
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24694263 | 10.1021/np400947d | NON-PROTEIN TARGET | 2 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | Unchecked | 2 |
| 24694263 | 10.1021/np400947d | MCF7 | 1 |
| 24694263 | 10.1021/np400947d | SF-268 | 1 |
| 24694263 | 10.1021/np400947d | NCI-H460 | 1 |
| 24694263 | 10.1021/np400947d | DU-145 | 1 |
| 27236068 | 10.1016/j.ejmech.2016.05.029 | NON-PROTEIN TARGET | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | CCRF-CEM | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | CEM-DNR | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | K562 | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | HCT-116 | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | A549 | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | U2OS | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | BJ | 1 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | MRC5 | 1 |
Data from ChEMBL 36 via Core Engine