Compound Detail
CHEMBL5405563
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[2H]C([2H])(Oc1nc(N[C@H]2CCCC[C@@H]2N(C)C)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2
Basic Information
| ChEMBL ID | CHEMBL5405563 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTKAEXFXTXTOAT-BDCWMGEWSA-N |
| Parent Compound | CHEMBL5498938 |
| Active Moiety | CHEMBL5498938 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
660.7
MW (Da)
6.86
ALogP
8
HBA
2
HBD
86.6
PSA (Ų)
0.16
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37921024 | 10.1021/acs.jmedchem.3c01724 | ASPC1 | 1 |
| 37921024 | 10.1021/acs.jmedchem.3c01724 | AGS | 1 |
| 37921024 | 10.1021/acs.jmedchem.3c01724 | A549 | 1 |
| 37921024 | 10.1021/acs.jmedchem.3c01724 | NCI-H1299 | 1 |
Data from ChEMBL 36 via Core Engine