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

CHEMBL87498

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
CCCN1CCCC(c2ccccc2)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL87498
Phase Preclinical
Structure Type MOL
InChI Key BJGOULYFYANDMK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

203.3
MW (Da)
3.28
ALogP
1
HBA
0
HBD
3.2
PSA (Ų)
0.73
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H21N
MW 203.33
Aromatic Rings 1
Heavy Atoms 15
NP-Likeness -1.05

Literature References

PubMed DOI Target Context # Activities
1671416 10.1021/jm00105a039 Rattus norvegicus 4

Data from ChEMBL 36 via Core Engine