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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL273264
CHEMBL273264
Compound Name NAFAMOSTAT
ChEMBL Synonyms NAFAMOSTAT MESYLATE | NAFAMOSTAT MESILATE | NAFAMOSTAT | FUT-175
Max Phase 3
Trade Names
Molecular Formula C19H17N5O2

Additional synonyms for CHEMBL273264 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC(=N)Nc1ccc(cc1)C(=O)Oc2ccc3cc(ccc3c2)C(=N)N
Standard InChI InChI=1S/C19H17N5O2/c20-17(21)14-2-1-13-10-16(8-5-12(13)9-14 ...
Download InChI
Standard InChI Key MQQNFDZXWVTQEH-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL273264

Molecule Features

CHEMBL273264 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov NAFAMOSTAT
The Cochrane Collaboration NAFAMOSTAT

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL273264. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL2319 Kallikrein 1 Homo sapiens 1.000
CHEMBL1801 Plasminogen Homo sapiens 1.000
CHEMBL244 Coagulation factor X Homo sapiens 1.000
CHEMBL3769 Trypsin I Bos taurus 1.000
CHEMBL3018 Matriptase Homo sapiens 1.000
CHEMBL1741195 Enteropeptidase Homo sapiens 1.000
CHEMBL3991 Coagulation factor VII Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 0.997
CHEMBL3656 Coagulation factor X Bos taurus 0.997
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.670
CHEMBL4081 Coagulation factor III Homo sapiens 0.586
CHEMBL5062 Coagulation factor X Oryctolagus cuniculus 0.242



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL209 Trypsin I Homo sapiens 1.000
CHEMBL2738 Acrosin Homo sapiens 1.000
CHEMBL3286 Urokinase-type plasminogen activator Homo sapiens 1.000
CHEMBL2319 Kallikrein 1 Homo sapiens 1.000
CHEMBL1873 Tissue-type plasminogen activator Homo sapiens 1.000
CHEMBL1801 Plasminogen Homo sapiens 1.000
CHEMBL244 Coagulation factor X Homo sapiens 1.000
CHEMBL204 Thrombin Homo sapiens 1.000
CHEMBL3018 Matriptase Homo sapiens 1.000
CHEMBL3769 Trypsin I Bos taurus 1.000
CHEMBL1741195 Enteropeptidase Homo sapiens 1.000
CHEMBL3656 Coagulation factor X Bos taurus 1.000
CHEMBL3991 Coagulation factor VII Homo sapiens 0.999
CHEMBL2366 Trypsin Sus scrofa 0.995
CHEMBL2079849 Serine protease hepsin Homo sapiens 0.975
CHEMBL3243909 Glandular kallikrein Sus scrofa 0.896
CHEMBL4081 Coagulation factor III Homo sapiens 0.227
CHEMBL1293224 Microtubule-associated protein tau Homo sapiens 0.203

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
347.4 347.1382 2.65 4 138.07 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 5 0 7 7 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 11 2.06 -.92 3 26 0.21

Structural Alerts

There are 8 structural alerts for CHEMBL273264. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:MQQNFDZXWVTQEH-UHFFFAOYSA-N
PubChem SID: 26754619 SID: 29216079 SID: 89650190

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL273264



ACToR 81525-10-2
BindingDB 50063698
Brenda 206757 141864 11353 75346 132462 33735
ChEBI 135466
ChemicalBook CB2156383
DrugBank DB12598
DrugCentral 1867
eMolecules 1935733
EPA CompTox Dashboard DTXSID0048420
FDA SRS Y25LQ0H97D
Guide to Pharmacology 4262
IBM Patent System DA64470F9494EDFC270492CD0BEF84D1
LINCS LSM-45274
MolPort MolPort-003-849-300
Nikkaji J33.163E
PubChem 4413
PubChem: Thomson Pharma 14778337 129980079
SureChEMBL SCHEMBL135503
ZINC ZINC000003874467

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/MQQNFDZXWVTQEH-UHFFFAOYSA-N spacer
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