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Compound Detail

CHEMBL62983

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NC(=O)NCCn1cc(C(=O)[C@@H]2CSC(c3cccnc3)N2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL62983
Phase Preclinical
Structure Type MOL
InChI Key QPPWBCYFCAXEDY-UCFFOFKASA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
2.29
ALogP
6
HBA
3
HBD
102.0
PSA (Ų)
0.56
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 C20H21N5O2S
MW 395.49
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.19

Activity Summary

Ki 1 meas. best 8.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 8.24 8.24 5.7 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8027984 10.1021/jm00039a015 Platelet-activating factor receptor 1

Data from ChEMBL 36 via Core Engine