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Compound Detail

CHEMBL3827942

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CN(C/C=C/c1cccc([N+](=O)[O-])c1)Cc1ccc2c(c1)CCCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827942
Phase Preclinical
Structure Type MOL
InChI Key SQMNJPMPQOFVGO-WVLIHFOGSA-N
Parent Compound CHEMBL3828835
Active Moiety CHEMBL3828835
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

350.5
MW (Da)
5.01
ALogP
3
HBA
0
HBD
46.4
PSA (Ų)
0.42
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27ClN2O2
MW 386.92
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.06

Literature References

PubMed DOI Target Context # Activities
27139780 10.1021/acs.jmedchem.6b00122 4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming) 1

Data from ChEMBL 36 via Core Engine