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Compound Detail

CHEMBL1455750

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O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1455750
Phase Preclinical
Structure Type MOL
InChI Key YURSTMZQCGYFHR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

319.4
MW (Da)
4.32
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.61
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 C18H13N3OS
MW 319.39
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -2.44

Data from ChEMBL 36 via Core Engine