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Compound Detail

CHEMBL1418782

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Cc1ccccc1NC1=NC(=O)/C(=C/c2cccn2C)S1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1418782
Phase Preclinical
Structure Type MOL
InChI Key MXOCRJFHQPCTNY-UVTDQMKNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

297.4
MW (Da)
3.42
ALogP
4
HBA
1
HBD
46.4
PSA (Ų)
0.86
QED
0
Ro5 Violations
2
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 2
Heavy Atoms 21
NP-Likeness -2.08

Data from ChEMBL 36 via Core Engine