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Compound Detail

CHEMBL4596978

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Cc1n[nH]cc1-c1cc2nc(C34CC(CN3)C4)[nH]c(=O)c2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4596978
Phase Preclinical
Structure Type MOL
InChI Key RPGCZXUZXCJKSR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

313.4
MW (Da)
1.89
ALogP
5
HBA
3
HBD
86.5
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15N5OS
MW 313.39
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.97

Data from ChEMBL 36 via Core Engine