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Compound Detail

CHEMBL3687969

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CCOc1ccc(Nc2nc(-c3ccccn3)cs2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3687969
Phase Preclinical
Structure Type MOL
InChI Key GPCRTKWGISPUOU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
4.35
ALogP
5
HBA
1
HBD
47.0
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H15N3OS
MW 297.38
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -2.05

Data from ChEMBL 36 via Core Engine