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Compound Detail

CHEMBL1963460

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Clc1ccc(C/N=C(/NCc2ccccc2)SCCCc2c[nH]cn2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963460
Phase Preclinical
Structure Type MOL
InChI Key GVCJWYDRTZSVBG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

399.0
MW (Da)
5.07
ALogP
3
HBA
2
HBD
53.1
PSA (Ų)
0.32
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H23ClN4S
MW 398.96
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.89

Data from ChEMBL 36 via Core Engine