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Compound Detail

CHEMBL4597453

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CC(C)(C)c1ccc(OCc2cn(C/C(F)=C/CN)nn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597453
Phase Preclinical
Structure Type MOL
InChI Key DIMBDAIMEVNUKE-ZSOIEALJSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
2.97
ALogP
5
HBA
1
HBD
66.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H23FN4O
MW 318.40
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.47

Data from ChEMBL 36 via Core Engine