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Compound Detail

CHEMBL1190428

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CCc1cccc(N(C)C(=N)Nc2cc(CC)cc(SC)c2Br)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1190428
Phase Preclinical
Structure Type MOL
InChI Key WKYZDZBAVZPRDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

406.4
MW (Da)
5.78
ALogP
2
HBA
2
HBD
39.1
PSA (Ų)
0.38
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24BrN3S
MW 406.39
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.88

Data from ChEMBL 36 via Core Engine