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

CHEMBL369194

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
Cc1nnc2n1-c1sc(CCc3ccc(-n4ccnc4)cc3)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL369194
Phase Preclinical
Structure Type MOL
InChI Key QBVRKFXSSAAEEE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

485.0
MW (Da)
5.61
ALogP
7
HBA
0
HBD
60.9
PSA (Ų)
0.33
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 C26H21ClN6S
MW 485.02
Aromatic Rings 5
Heavy Atoms 34
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 7.0 7.0 100.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2016721 10.1021/jm00108a031 Cavia porcellus 3
2016721 10.1021/jm00108a031 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine