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Compound Detail

CHEMBL1194375

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O=C1CN2C=c3c4c(sc3=NC2=N1)CCCC4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1194375
Phase Preclinical
Structure Type MOL
InChI Key LWAWEMFABJNIJI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

245.3
MW (Da)
0.20
ALogP
4
HBA
0
HBD
45.0
PSA (Ų)
0.66
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 C12H11N3OS
MW 245.31
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -0.90

Data from ChEMBL 36 via Core Engine