AMBRISENTAN

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Trade Names
Synonyms
Status
Molecule Category Free-form
ATC C02KX02
UNII HW6NV07QEC
EPA CompTox DTXSID4046282

Structure

InChI Key OUJTZYPIHDYQMC-LJQANCHMSA-N
Smiles COC(c1ccccc1)(c1ccccc1)[C@H](Oc1nc(C)cc(C)n1)C(=O)O
InChI
InChI=1S/C22H22N2O4/c1-15-14-16(2)24-21(23-15)28-19(20(25)26)22(27-3,17-10-6-4-7-11-17)18-12-8-5-9-13-18/h4-14,19H,1-3H3,(H,25,26)/t19-/m1/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H22N2O4
Molecular Weight 378.43
AlogP 3.52
Hydrogen Bond Acceptor 5.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 7.0
Polar Surface Area 81.54
Molecular species ACID
Aromatic Rings 3.0
Heavy Atoms 28.0

Metabolites Network

visNetwork

Pharmacology

Mechanism of Action Action Reference
Endothelin receptor, ET-A/ET-B antagonist ANTAGONIST DailyMed
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Endothelin receptor
- 1-195 81.28 - 43.23
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- 1-195 81.28 - -
Oryctolagus cuniculus
- - - - 43.23

Related Entries

Cross References

Resources Reference
ChEBI 135949
ChEMBL CHEMBL1111
DrugBank DB06403
DrugCentral 4337
FDA SRS HW6NV07QEC
Guide to Pharmacology 3951
KEGG D07077
PubChem 6918493
SureChEMBL SCHEMBL3679
ZINC ZINC000000538627
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