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Compound Detail

CHEMBL2078675

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CN(C)CCOc1nn(Cc2ccccc2)c2ccc([N+](=O)[O-])cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2078675
Phase Preclinical
Structure Type MOL
InChI Key VWBCEEITIKWVPK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

340.4
MW (Da)
2.93
ALogP
6
HBA
0
HBD
73.4
PSA (Ų)
0.49
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H20N4O3
MW 340.38
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.74

Data from ChEMBL 36 via Core Engine