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Compound Detail

CHEMBL3827110

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CN(C/C=C/c1ccccc1)Cc1cccc2c1CCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827110
Phase Preclinical
Structure Type MOL
InChI Key HYJIINSCDFYEAK-YGCVIUNWSA-N
Parent Compound CHEMBL21631
Active Moiety CHEMBL21631
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.4
MW (Da)
4.71
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.77
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 C21H26ClN
MW 327.90
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.34

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