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Compound Detail

CHEMBL280164

APAFANT
🧪 Phase II
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🧪 Phase II
Cc1nnc2n1-c1sc(CCC(=O)N3CCOCC3)cc1C(c1ccccc1Cl)=NC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL280164
Name APAFANT
Phase Phase II
Structure Type MOL
InChI Key JGPJQFOROWSRRS-UHFFFAOYSA-N

Known Names

Apafant WEB 2086 BS WEB-2086-BS
4
Targets
19
Activities
2
Assay Types
0
PK Parameters
20
Publications
3
Known Names

Molecular Properties

456.0
MW (Da)
3.43
ALogP
7
HBA
0
HBD
72.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Flags

Chemical Probe
USAN Stem -pafant
USAN Year 1997

Extended Properties

Molecular Formula C22H22ClN5O2S
MW 455.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.20

Activity Summary

IC50 15 meas. best 7.4
Ki 4 meas. best 8.15

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Platelet-activating factor receptor
CHEMBL5136
 Ki 8.15 7.39 7.1 3
Platelet-activating factor receptor
CHEMBL250
 Ki 8.0 8.0 9.9 1
Platelet-activating factor receptor
CHEMBL250
 IC50 7.4 6.88 40.0 8
Homo sapiens
CHEMBL372
 IC50 7.4 7.4 40.0 1
Oryctolagus cuniculus
CHEMBL374
 IC50 7.04 6.85 91.0 3
Platelet-activating factor receptor
CHEMBL5136
 IC50 7.04 6.9733 91.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Platelet-activating factor receptor Ki = 7.079 nM 8.15 Competitive inhibition of Platelet activating factor receptor in rabbit-washed p... 7783144
Platelet-activating factor receptor Ki = 9.9 nM 8.0 Competition with [3H]PAF binding to human platelets -
Homo sapiens IC50 = 40.0 nM 7.4 In vitro antagonist activity, determined by 50% inhibition of PAF-induced platel... 9934454
Platelet-activating factor receptor IC50 = 40.0 nM 7.4 Concentration required to cause 50% inhibition of platelet activating factor (PA... 1671420
Platelet-activating factor receptor IC50 = 50.0 nM 7.3 Antagonistic activity for inhibition of [3H]PAF receptor binding to washed human... -
Platelet-activating factor receptor IC50 = 91.0 nM 7.04 Inhibition of PAF-induced platelet aggregation 8411016
Platelet-activating factor receptor IC50 = 91.0 nM 7.04 Concentration tested in vitro to inhibit PAF-induced maximum aggregation (PAF-An... 1433215
Oryctolagus cuniculus IC50 = 91.0 nM 7.04 Concentration required to inhibit PAF-induced maximum aggregation by 50% 11520209
Oryctolagus cuniculus IC50 = 91.0 nM 7.04 Concentration required to inhibit PAF-induced maximum platelet aggregation in ra... 8558517
Platelet-activating factor receptor IC50 = 94.0 nM 7.03 Displacement of [3H]PAF from PAF receptor of human platelet membranes 9599246
Platelet-activating factor receptor Ki = 98.0 nM 7.01 In vitro intrinsic binding affinity at platelet activating factor receptor using... 1317924
Platelet-activating factor receptor Ki = 98.3 nM 7.01 Antagonist activity against platelet activating factor (PAF) receptor in rabbit ... 8027984
Platelet-activating factor receptor IC50 = 146.0 nM 6.84 In vitro inhibition of PAF-induced aggregation of rabbit washed platelets. 1507200
Platelet-activating factor receptor IC50 = 170.0 nM 6.77 Inhibition of PAF-induced human platelet aggregation (Platelet-rich plasma isola... -
Platelet-activating factor receptor IC50 = 200.0 nM 6.7 PAF-antagonist activity determined in dog platelets by PAF-binding assay 2002463
Platelet-activating factor receptor IC50 = 200.0 nM 6.7 In vitro for platelet activating factor receptor antagonist activity in a bindin... 2016721
Platelet-activating factor receptor IC50 = 200.0 nM 6.7 Inhibition of [3H]PAF binding to dog platelets. 2754709
Oryctolagus cuniculus IC50 = 340.0 nM 6.47 Concentration required to inhibit PAF (5*10e-8 M) induced platelet aggregation i... 1336052
Platelet-activating factor receptor IC50 = 360.0 nM 6.44 Inhibition of PAF-induced human neutrophil aggregation -

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 U2OS 8
- 10.6019/CHEMBL5058564 Fibroblast 7
2754709 10.1021/jm00128a026 Cavia porcellus 5
8558517 10.1021/jm950555i Mus musculus 5
- 10.6019/CHEMBL5303304 Fibroblast 5
- 10.6019/CHEMBL5058564 U2OS 5
2002463 10.1021/jm00107a048 Platelet-activating factor receptor 4
- 10.6019/CHEMBL5463721 Unchecked 4
8411016 10.1021/jm00072a019 Mus musculus 4
8411016 10.1021/jm00072a019 Platelet-activating factor receptor 3
2016721 10.1021/jm00108a031 Cavia porcellus 3
1433215 10.1021/jm00100a018 Platelet-activating factor receptor 3
- 10.6019/CHEMBL5463721 Platelet-activating factor receptor 3
2754709 10.1021/jm00128a026 Platelet-activating factor receptor 3
8411016 10.1021/jm00072a019 Rattus norvegicus 2
1671420 10.1021/jm00105a069 Cavia porcellus 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
2754709 10.1021/jm00128a026 Rattus norvegicus 2
- 10.6019/CHEMBL5209801 Adhesion G-protein coupled receptor F1 2
1507200 10.1021/jm00095a005 Platelet-activating factor receptor 2

Data from ChEMBL 36 via Core Engine