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Compound Detail

CHEMBL33142

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O/N=C/c1cc[n+](CCC[n+]2ccc(/C=N/OCc3c(Cl)cccc3Cl)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL33142
Phase Preclinical
Structure Type MOL
InChI Key HIJTVHGAXUOABS-WGOQTCKBSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.4
MW (Da)
4.02
ALogP
4
HBA
1
HBD
61.9
PSA (Ų)
0.23
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22Cl2N4O2+2
MW 445.35
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -0.67

Data from ChEMBL 36 via Core Engine