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Compound Detail

CHEMBL1983591

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c1cnc2[nH]c(SCc3cn4ccccc4n3)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1983591
Phase Preclinical
Structure Type MOL
InChI Key ASXHPQUTMKGKKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

281.3
MW (Da)
2.90
ALogP
5
HBA
1
HBD
58.9
PSA (Ų)
0.59
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 C14H11N5S
MW 281.34
Aromatic Rings 4
Heavy Atoms 20
NP-Likeness -2.95

Data from ChEMBL 36 via Core Engine