Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL3828623

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC(C)N(C/C=C/c1ccccc1)Cc1ccc2c(c1)CCCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3828623
Phase Preclinical
Structure Type MOL
InChI Key KCBQALORYQKEDX-NBYYMMLRSA-N
Parent Compound CHEMBL3828789
Active Moiety CHEMBL3828789
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
5.88
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.60
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 C24H32ClN
MW 369.98
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.63

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