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Compound Detail

CHEMBL3644811

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Cc1c(Nc2ccc(Br)cc2F)c2c(=O)n(CCO)cnc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3644811
Phase Preclinical
Structure Type MOL
InChI Key MFJNYZVALCVKHT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

423.2
MW (Da)
2.04
ALogP
7
HBA
2
HBD
89.2
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16BrFN4O3
MW 423.24
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.38

Data from ChEMBL 36 via Core Engine