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
CAS Number: 20776-45-8
TTD ID: D06NGQ

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)

MIA Detail

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.