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

CHEMBL144697

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
Cc1nc2cnccc2n1CC1CCN(C(=O)CNC(c2ccccc2)c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL144697
Phase Preclinical
Structure Type MOL
InChI Key MKELHWVGEYRTIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

453.6
MW (Da)
4.36
ALogP
5
HBA
1
HBD
63.0
PSA (Ų)
0.45
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N5O
MW 453.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 7.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Oryctolagus cuniculus
CHEMBL374
 IC50 7.89 7.89 13.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Oryctolagus cuniculus IC50 = 13.0 nM 7.89 Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... 8558517

Literature References

PubMed DOI Target Context # Activities
8558517 10.1021/jm950555i Mus musculus 2
8558517 10.1021/jm950555i Oryctolagus cuniculus 1
8558517 10.1021/jm950555i Rattus norvegicus 1

Data from ChEMBL 36 via Core Engine