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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1046
CHEMBL1046
Compound Name AMINOCAPROIC ACID
ChEMBL Synonyms EPSILON-AMINOCAPROIC ACID | EACA | AMINOCAPROIC | CY-116 | 177 J.D | CL 10304 | AMINOCAPROIC ACID | AMICAR | 177 J.D. | EPSIKAPRON
Max Phase 4 (Approved)
Trade Names AMINOCAPROIC | AMICAR | AMINOCAPROIC ACID | EPSIKAPRON
Molecular Formula C6H13NO2

Additional synonyms for CHEMBL1046 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NCCCCCC(=O)O
Standard InChI InChI=1S/C6H13NO2/c7-5-3-1-2-4-6(8)9/h1-5,7H2,(H,8,9)
Standard InChI Key SLXKOJJOQWFEFD-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1046

Molecule Features

CHEMBL1046 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Plasminogen inhibitor Plasminogen DailyMed
Tissue-type plasminogen activator inhibitor Tissue-type plasminogen activator DailyMed PubMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
InflammationD007249MP:0001845inflammation2ClinicalTrials
Aortic DiseasesD001018EFO:0005775aortic disease0ClinicalTrials
Cerebral HemorrhageD002543EFO:0005669intracerebral hemorrhage1ClinicalTrials
CraniosynostosesD003398Orphanet:1531Craniosynostosis2ClinicalTrials
HemorrhageD006470MP:0001914hemorrhage4ATC
DailyMed
DailyMed
DailyMed
DailyMed
DailyMed
RosaceaD012393EFO:1000760rosacea0ClinicalTrials

Clinical Data

ClinicalTrials.gov AMINOCAPROIC ACID
The Cochrane Collaboration AMINOCAPROIC ACID

Metabolites for CHEMBL1046

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Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
131.2 131.0946 0.59 5 63.32 ZWITTERION


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 3 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
4.68 10.63 .03 -2.47 0 9 0.54

Structural Alerts

There are 3 structural alerts for CHEMBL1046. To view alerts please click here.

Compound Cross References

ATC B - BLOOD AND BLOOD FORMING ORGANS
B02 - ANTIHEMORRHAGICS
B02A - ANTIFIBRINOLYTICS
B02AA - Amino acids
B02AA01 - aminocaproic acid

ChemSpider ChemSpider:SLXKOJJOQWFEFD-UHFFFAOYSA-N
DailyMed aminocaproic acid
PubChem SID: 11110778 SID: 11110779 SID: 144203632 SID: 170465057 SID: 174007004 SID: 26747439 SID: 26747440 SID: 50105811 SID: 50105812 SID: 57260392 SID: 85230919 SID: 90341441
Wikipedia Aminocaproic_acid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1046



ACToR 1319-82-0 60-32-2
BindingDB 50357211
Brenda 155197 20060 31313 35816 29626 93331 120669 44105 113362 5542 2822 2718
ChEBI 57826 16586
ChemicalBook CB5223888
DrugBank DB00513
DrugCentral 163
eMolecules 476636
EPA CompTox Dashboard DTXSID0020070
FDA SRS U6F3787206
Guide to Pharmacology 6574
Human Metabolome Database HMDB0001901
IBM Patent System 817950EE3093CAF651003E3184D1D491
KEGG Ligand C02378
LINCS LSM-5733
LipidMaps LMFA01100035
Mcule MCULE-3640363033
Metabolights MTBLC57826 MTBLC16586
MolPort MolPort-001-779-881
Nikkaji J1.398F
NMRShiftDB 10008873
PDBe ACA
PharmGKB PA164774947
PubChem 564 517030
PubChem: Thomson Pharma 15119949
Rhea 57826
Selleck Aminocaproic-acid(Amicar)
SureChEMBL SCHEMBL15293
ZINC ZINC000001529425

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