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Compound Detail

CHEMBL171100

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c1ccc2sc(Cc3c[nH]cn3)cc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171100
Phase Preclinical
Structure Type MOL
InChI Key WNBNZEINROGKSJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
3.22
ALogP
2
HBA
1
HBD
28.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H10N2S
MW 214.29
Aromatic Rings 3
Heavy Atoms 15
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine