Compound Detail
CHEMBL4213108
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CCCCNC(=O)CN(Cc1ccccc1)C(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CC[C@H](O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
Basic Information
| ChEMBL ID | CHEMBL4213108 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TWUBAHNNDAYKPH-ZVAGFZNZSA-N |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
659.0
MW (Da)
9.09
ALogP
3
HBA
2
HBD
69.6
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29529499 | 10.1016/j.ejmech.2018.02.060 | A2780 | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | 518A2 | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | HT-29 | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | MCF7 | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | A549 | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | FaDu | 1 |
| 29529499 | 10.1016/j.ejmech.2018.02.060 | NIH3T3 | 1 |
Data from ChEMBL 36 via Core Engine