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Compound Detail

CHEMBL4445067

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Cc1nc(C2CCN(C(=O)c3ccc(OC(F)(F)F)cc3)CC2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4445067
Phase Preclinical
Structure Type MOL
InChI Key CMLWCJMFHJPJPC-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

415.4
MW (Da)
4.86
ALogP
4
HBA
0
HBD
55.3
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20F3N3O2
MW 415.42
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.33

Literature References

PubMed DOI Target Context # Activities
30563338 10.1021/acs.jmedchem.8b01606 Mitogen-activated protein kinase 7 2

Data from ChEMBL 36 via Core Engine