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Compound Detail

CHEMBL1976492

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Cc1c(CNCc2cccc(Br)c2)c(C(=O)O)c(C)n1Cc1ccc(F)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1976492
Phase Preclinical
Structure Type MOL
InChI Key SMEFSGYMVLNAOQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.3
MW (Da)
5.04
ALogP
3
HBA
2
HBD
54.3
PSA (Ų)
0.54
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22BrFN2O2
MW 445.33
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.46

Data from ChEMBL 36 via Core Engine