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Compound Detail

CHEMBL1622008

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COc1ccc(Br)cc1-c1nc(CCl)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1622008
Phase Preclinical
Structure Type MOL
InChI Key KTNHWPLWDREXMZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

318.6
MW (Da)
4.32
ALogP
3
HBA
0
HBD
22.1
PSA (Ų)
0.79
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H9BrClNOS
MW 318.62
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.56

Data from ChEMBL 36 via Core Engine