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Compound Detail

CHEMBL325439

BEPAFANT
🧪 Phase II
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🧪 Phase II
Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CC(C(=O)N1CCOCC1)C3

Basic Information

ChEMBL ID CHEMBL325439
Name BEPAFANT
Phase Phase II
Structure Type MOL
InChI Key FWYVRZOREBYLCY-UHFFFAOYSA-N

Known Names

Bepafant WEB-2170
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
20
Publications
2
Known Names

Molecular Properties

468.0
MW (Da)
3.22
ALogP
7
HBA
0
HBD
72.6
PSA (Ų)
0.58
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -pafant

Extended Properties

Molecular Formula C23H22ClN5O2S
MW 467.98
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.28

Activity Summary

IC50 2 meas. best 7.14
Ki 1 meas. best 7.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
Ki 7.54 7.54 29.2 1
Platelet-activating factor receptor
CHEMBL5136
IC50 7.14 7.14 73.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 Fibroblast 12
- 10.6019/CHEMBL5303304 U2OS 4
- 10.6019/CHEMBL5303304 HEK-293T 3
7658439 10.1021/jm00018a012 Platelet-activating factor receptor 2
- 10.6019/CHEMBL5308504 Casein kinase I isoform delta 1
- 10.6019/CHEMBL5308504 Bromodomain-containing protein 4 1
- 10.6019/CHEMBL5308504 Transcription intermediary factor 1-alpha 1
- 10.6019/CHEMBL5308504 Peregrin 1
- 10.6019/CHEMBL5308504 Fibroblast growth factor receptor 3 1
- 10.6019/CHEMBL5308504 Tyrosine-protein kinase ABL1 1
- 10.6019/CHEMBL5308504 Aurora kinase A 1
- 10.6019/CHEMBL5308504 Mitogen-activated protein kinase 1 1
- 10.6019/CHEMBL5308504 Glycogen synthase kinase-3 beta 1
- 10.6019/CHEMBL5308504 Cyclin-dependent kinase 2 1
8027984 10.1021/jm00039a015 Rattus norvegicus 1
8027984 10.1021/jm00039a015 Mus musculus 1
8027984 10.1021/jm00039a015 Platelet-activating factor receptor 1
7658438 10.1021/jm00018a011 Mus musculus 1
7658438 10.1021/jm00018a011 Platelet-activating factor receptor 1
7658439 10.1021/jm00018a012 Canis familiaris 1

Data from ChEMBL 36 via Core Engine