Structure

InChI Key ULSDMUVEXKOYBU-ZDUSSCGKSA-N
Smiles CN(C)CCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12
InChI
InChI=1S/C16H21N3O2/c1-19(2)6-5-12-9-17-15-4-3-11(8-14(12)15)7-13-10-21-16(20)18-13/h3-4,8-9,13,17H,5-7,10H2,1-2H3,(H,18,20)/t13-/m0/s1

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H21N3O2
Molecular Weight 287.36
AlogP 1.92
Hydrogen Bond Acceptor 3.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 5.0
Polar Surface Area 57.36
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 21.0

Pharmacology

Target Conservation

Protein: Serotonin 1d (5-HT1d) receptor

Description: 5-hydroxytryptamine receptor 1D

Organism : Homo sapiens

P28221 ENSG00000179546
Protein: Serotonin 1b (5-HT1b) receptor

Description: 5-hydroxytryptamine receptor 1B

Organism : Homo sapiens

P28222 ENSG00000135312

Cross References

Resources Reference
ChEBI 10124
ChEMBL CHEMBL1185
DrugBank DB00315
DrugCentral 2869
FDA SRS 2FS66TH3YW
Human Metabolome Database HMDB0014460
Guide to Pharmacology 60
KEGG C07218
PubChem 60857
SureChEMBL SCHEMBL33336
ZINC ZINC000000015515