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Compound Detail

CHEMBL4302671

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N=C(N)c1ccc(-c2ccc(-c3ccccc3)s2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4302671
Phase Preclinical
Structure Type MOL
InChI Key CQTQZIWILBSMCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

278.4
MW (Da)
4.37
ALogP
2
HBA
2
HBD
49.9
PSA (Ų)
0.54
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 C17H14N2S
MW 278.38
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -0.35

Data from ChEMBL 36 via Core Engine