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Compound Detail

CHEMBL20359

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Cc1nnc2n1-c1sc(I)cc1C(c1ccccc1Cl)=NC2

Basic Information

ChEMBL ID CHEMBL20359
Phase Preclinical
Structure Type MOL
InChI Key KJZJHABCRCESGN-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

440.7
MW (Da)
4.25
ALogP
5
HBA
0
HBD
43.1
PSA (Ų)
0.53
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H10ClIN4S
MW 440.70
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.88

Activity Summary

IC50 2 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL250
IC50 6.43 6.43 370.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2016721 10.1021/jm00108a031 Cavia porcellus 2
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 2
2016721 10.1021/jm00108a031 Platelet-activating factor receptor 1
2002463 10.1021/jm00107a048 Cavia porcellus 1

Data from ChEMBL 36 via Core Engine