Compound Detail
CHEMBL5411390
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C=C(C)[C@@H]1CC[C@]2(C(=O)OCc3cn([C@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4O)nn3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL5411390 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IRLCOKWYHHQFNE-FQETXPGZSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
699.9
MW (Da)
4.31
ALogP
11
HBA
5
HBD
167.4
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36174412 | 10.1016/j.ejmech.2022.114777 | ADMET | 12 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | No relevant target | 4 |
| 36174412 | 10.1016/j.ejmech.2022.114777 | Unchecked | 2 |
| 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