Compound Detail
CHEMBL5421089
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[2H]C([2H])(Oc1nc(N2CCC(N(C)C)C2)c2cnc(-c3cc(O)cc4ccc(F)c(C#C)c34)c(F)c2n1)C12CCCN1CC(=C(F)F)C2
Basic Information
| ChEMBL ID | CHEMBL5421089 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MTSGRNHSWSYPDG-CPLZMPMBSA-N |
| Parent Compound | CHEMBL5499438 |
| Active Moiety | CHEMBL5499438 |
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
632.7
MW (Da)
5.72
ALogP
8
HBA
1
HBD
77.8
PSA (Ų)
0.21
QED
2
Ro5 Violations
6
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