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Compound Detail

CHEMBL5028278

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CCn1nccc1-c1ccc(C(=O)N[C@@H]2CNCC[C@H]2c2ccc(F)c(F)c2)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5028278
Phase Preclinical
Structure Type MOL
InChI Key VBNIPZFBWHKAPB-HRAATJIYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

428.5
MW (Da)
3.86
ALogP
4
HBA
2
HBD
59.0
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N4O
MW 428.46
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.52

Data from ChEMBL 36 via Core Engine