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

CHEMBL8949

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
O=C(NCC=C(c1ccccc1)c1ccccc1)c1ccc2ccccc2c1

Basic Information

ChEMBL ID CHEMBL8949
Phase Preclinical
Structure Type MOL
InChI Key ARRFUAAVWIBUKT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.5
MW (Da)
5.70
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.48
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 C26H21NO
MW 363.46
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -0.27

Activity Summary

Ki 1 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cholecystokinin receptor type A
CHEMBL2871
Ki 6.35 6.35 450.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
1552499 10.1021/jm00084a009 Cholecystokinin receptor type A 1

Data from ChEMBL 36 via Core Engine