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Compound Detail

CHEMBL3985594

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COc1cc(C2CNC(=O)N2c2ccc3nc[nH]c3c2)cc2c1OCO2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3985594
Phase Preclinical
Structure Type MOL
InChI Key PSDNQBQDZMNVKM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

352.4
MW (Da)
2.57
ALogP
5
HBA
2
HBD
88.7
PSA (Ų)
0.76
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 C18H16N4O4
MW 352.35
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.20

Data from ChEMBL 36 via Core Engine