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Compound Detail

CHEMBL1993612

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O=C(N/N=C/c1ccc2c(c1)OCO2)c1cc(-c2ccncc2)nc2ccccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1993612
Phase Preclinical
Structure Type MOL
InChI Key MSNRYQLOMIQMBP-DHRITJCHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

396.4
MW (Da)
3.79
ALogP
6
HBA
1
HBD
85.7
PSA (Ų)
0.42
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H16N4O3
MW 396.41
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.39

Data from ChEMBL 36 via Core Engine