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Compound Detail

CHEMBL1490564

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CC1(C)CC(=O)C2=C(C1)c1c(ccc3ccccc13)NC2c1ccc(Br)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1490564
Phase Preclinical
Structure Type MOL
InChI Key RYYGQQKVEMFWTE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

422.3
MW (Da)
6.50
ALogP
3
HBA
1
HBD
42.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20BrNO2
MW 422.32
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.45

Data from ChEMBL 36 via Core Engine