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Compound Detail

CHEMBL1205933

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O=C(/C=C/c1c(C(=O)O)[nH]c2cc(Cl)cc(Cl)c12)Nc1cccc([N+](=O)[O-])c1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1205933
Phase Preclinical
Structure Type MOL
InChI Key NQFVPOFMUFVABT-SNAWJCMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

436.2
MW (Da)
4.44
ALogP
5
HBA
4
HBD
145.6
PSA (Ų)
0.20
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 C18H11Cl2N3O6
MW 436.21
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.96

Data from ChEMBL 36 via Core Engine