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Compound Detail

CHEMBL3644804

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Cc1c(Nc2ccc(Br)cc2F)c2c(=O)n(C[C@H](O)CO)cnc2n(C)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3644804
Phase Preclinical
Structure Type MOL
InChI Key OREFHJWLWMSGOW-NSHDSACASA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.3
MW (Da)
1.40
ALogP
8
HBA
3
HBD
109.4
PSA (Ų)
0.54
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18BrFN4O4
MW 453.27
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine