ACENOCOUMAROL

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: B01AA07
UNII: I6WP63U32H

Structure
InChI Key VABCILAOYCMVPS-UHFFFAOYSA-N
Smile CC(=O)CC(c1ccc([N+](=O)[O-])cc1)c1c(O)c2ccccc2oc1=O
InChI
InChI=1S/C19H15NO6/c1-11(21)10-15(12-6-8-13(9-7-12)20(24)25)17-18(22)14-4-2-3-5-16(14)26-19(17)23/h2-9,15,22H,10H2,1H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C19H15NO6
Molecular Weight 353.33
AlogP 3.52
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 5.0
Polar Surface Area 110.65
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Action Mechanism of Action Reference
INHIBITOR Vitamin k epoxide reductase complex subunit 1 isoform 1 inhibitor PubMed PubMed PubMed PubMed

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Pulmonary Embolism 3 D011655 ClinicalTrials
Melanoma 1 D008545 ClinicalTrials

Related Entries

MCS

Scaffolds

Cross References

Resources Reference
CAS NUMBER 152-72-7
ChEBI 53766
ChEMBL CHEMBL397420
DrugBank DB01418
DrugCentral 48
EPA CompTox DTXSID2022541
FDA SRS I6WP63U32H
Human Metabolome Database HMDB0015487
Guide to Pharmacology 9015
PubChem 54676537
SureChEMBL SCHEMBL33543
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