INDORAMIN

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
ATC: C02CA02
UNII: 0Z802HMY7H

Structure
InChI Key JXZZEXZZKAWDSP-UHFFFAOYSA-N
Smile O=C(NC1CCN(CCc2c[nH]c3ccccc23)CC1)c1ccccc1
InChI
InChI=1S/C22H25N3O/c26-22(17-6-2-1-3-7-17)24-19-11-14-25(15-12-19)13-10-18-16-23-21-9-5-4-8-20(18)21/h1-9,16,19,23H,10-15H2,(H,24,26)

Physicochemical Descriptors

Property Name Value
Molecular Formula C22H25N3O
Molecular Weight 347.46
AlogP 3.6
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 48.13
Molecular species BASE
Aromatic Rings 3.0
Heavy Atoms 26.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Membrane receptor Family A G protein-coupled receptor Small molecule receptor (family A GPCR) Monoamine receptor Adrenergic receptor
- - 2 25-40 -

Indications

Mesh Heading Maximum Phase Mesh ID Reference

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 135470
ChEMBL CHEMBL279516
DrugBank DB08950
DrugCentral 1443
EPA CompTox DTXSID7048370
FDA SRS 0Z802HMY7H
Guide to Pharmacology 501
PubChem 33625
SureChEMBL SCHEMBL49517
ZINC ZINC000000001567
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