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Compound Detail

CHEMBL1383320

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O=C(/C=C/c1ccc(Cl)cc1)N1CCN(c2ccc([N+](=O)[O-])c(N3CCOCC3)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1383320
Phase Preclinical
Structure Type MOL
InChI Key IHBNFJKYLUBWKS-FPYGCLRLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.9
MW (Da)
3.45
ALogP
6
HBA
0
HBD
79.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H25ClN4O4
MW 456.93
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -1.41

Data from ChEMBL 36 via Core Engine