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Compound Detail

CHEMBL1984849

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Cc1nc2sc3c(c2c2nncn12)CCCC3
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1984849
Phase Preclinical
Structure Type MOL
InChI Key PONPELTUPXRSHB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

244.3
MW (Da)
2.53
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.61
QED
0
Ro5 Violations
0
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N4S
MW 244.32
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -2.70

Data from ChEMBL 36 via Core Engine