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

CHEMBL140593

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@H](CC(=O)O)NC(=O)CN1CCc2ccc(-c3ccncc3)cc2C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL140593
Phase Preclinical
Structure Type MOL
InChI Key HHWTXGIRZYBFFL-QGZVFWFLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
1.34
ALogP
4
HBA
2
HBD
99.6
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H19N3O4
MW 377.40
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness -0.46

Activity Summary

IC50 1 meas. best 6.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
 IC50 6.8 6.8 160.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Homo sapiens IC50 = 160.0 nM 6.8 in vitro inhibition of human gel-filtered platelets using ADP agonist 8917647

Literature References

PubMed DOI Target Context # Activities
8917647 10.1021/jm9604787 Homo sapiens 1

Data from ChEMBL 36 via Core Engine