Details of the Drug

General Information of Drug (ID: DMOM35G)

Drug Name
5-Benzyloxytryptamine
Synonyms
5-Benzyloxytryptamine; 20776-45-8; 2-(5-Benzyloxy-1H-indol-3-yl)-ethylamine; 5-Benzyloxytriptamine; 2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine; 3-(2-aminoethyl)-5-benzyloxyindole; 5-BT; CHEMBL1288652; 2-(5-(Benzyloxy)-1H-indol-3-yl)ethanamine; WKPDXBXNJWWWGQ-UHFFFAOYSA-N; 5-Benzyloxy-3-(2-ethylamino)indole hydrochloride; 1H-Indole-3-ethanamine,5-(phenylmethoxy)-; 1H-Indole-3-ethanamine, 5-(phenylmethoxy)-; B-2100; 2-[5-(benzyloxy)-1H-indol-3-yl]ethanamine hydrochloride; 2-[5-(phenylmethoxy)indol-3-yl]ethylamine; EINECS 244-
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 266.34
Logarithm of the Partition Coefficient (xlogp) 2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C17H18N2O
IUPAC Name
2-(5-phenylmethoxy-1H-indol-3-yl)ethanamine
Canonical SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)NC=C3CCN
InChI
InChI=1S/C17H18N2O/c18-9-8-14-11-19-17-7-6-15(10-16(14)17)20-12-13-4-2-1-3-5-13/h1-7,10-11,19H,8-9,12,18H2
InChIKey
WKPDXBXNJWWWGQ-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
89576
ChEBI ID
CHEMBL1288652
CAS Number
20776-45-8
TTD ID
D06NGQ
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Long transient receptor potential channel 8 (TRPM8) TTXDKTO TRPM8_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 265).
2 5-benzyloxytryptamine as an antagonist of TRPM8. Bioorg Med Chem Lett. 2010 Dec 1;20(23):7076-9.