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Compound Detail

CHEMBL1186461

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O=C1/C(=C/c2ccc([N+](=O)[O-])cc2)CN(C(=O)c2ccc(OCCN3CCOCC3)cc2)C/C1=C\c1ccc([N+](=O)[O-])cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186461
Phase Preclinical
Structure Type MOL
InChI Key QGDGKNGTENMJGC-VCNVVWDHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

598.6
MW (Da)
4.41
ALogP
9
HBA
0
HBD
145.4
PSA (Ų)
0.20
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H30N4O8
MW 598.61
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -1.02

Data from ChEMBL 36 via Core Engine