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Compound Detail

CHEMBL2007483

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COc1ccc(-c2nnc(SCC(=O)c3cccc(Br)c3)[nH]2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2007483
Phase Preclinical
Structure Type MOL
InChI Key VNGXHPKWCDARCH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

404.3
MW (Da)
4.22
ALogP
5
HBA
1
HBD
67.9
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H14BrN3O2S
MW 404.29
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.64

Data from ChEMBL 36 via Core Engine