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Compound Detail

CHEMBL4117701

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Cc1n[nH]cc1-c1cc2nc(CN(C)C)[nH]c(=O)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4117701
Phase Preclinical
Structure Type MOL
InChI Key KYJOLQPJQXRUOO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

289.4
MW (Da)
1.74
ALogP
5
HBA
2
HBD
77.7
PSA (Ų)
0.77
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 C13H15N5OS
MW 289.36
Aromatic Rings 3
Heavy Atoms 20
NP-Likeness -1.99

Data from ChEMBL 36 via Core Engine