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Compound Detail

CHEMBL3828692

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CN(C/C=C/c1ccco1)Cc1ccc2c(c1)CCCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828692
Phase Preclinical
Structure Type MOL
InChI Key WZEFEJDQQGEPQR-SZKNIZGXSA-N
Parent Compound CHEMBL3828812
Active Moiety CHEMBL3828812
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

295.4
MW (Da)
4.69
ALogP
2
HBA
0
HBD
16.4
PSA (Ų)
0.74
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 C20H26ClNO
MW 331.89
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.94

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