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Compound Detail

CHEMBL1600223

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Cc1cccc(-n2c(S)nnc2Cc2ccccc2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1600223
Phase Preclinical
Structure Type MOL
InChI Key YYXSEJIFRYPETQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
3.46
ALogP
4
HBA
1
HBD
30.7
PSA (Ų)
0.75
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 C16H15N3S
MW 281.38
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -2.01

Data from ChEMBL 36 via Core Engine