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

CHEMBL3827435

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
C/C(=C\c1ccccc1)CN(C)Cc1ccc2c(c1)CCCCC2.Cl
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3827435
Phase Preclinical
Structure Type MOL
InChI Key AHAGWVNCFIWYEM-QTCZRQAZSA-N
Parent Compound CHEMBL3828814
Active Moiety CHEMBL3828814
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

319.5
MW (Da)
5.49
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.66
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30ClN
MW 355.95
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.73

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