Details of the Drug

General Information of Drug (ID: DMXLVG6)

Drug Name

3-(5-methoxy-1H-indol-3-yl)propanoic acid

Synonyms

3-(5-methoxy-1H-indol-3-yl)propanoic acid; 39547-16-5; 3-(5-Methoxy-1H-indol-3-yl)-propionic acid; 1H-Indole-3-propanoic acid, 5-methoxy-; 3-(5-methoxyindol-3-yl)propanoic acid; CBMicro_030931; ChemDiv2_000435; AC1L48GT; Oprea1_046476; SCHEMBL3024961; CTK1C3093; 5-methoxyindole-3-propionic acid; ZLSZCJIWILJKMR-UHFFFAOYSA-N; MolPort-002-085-835; ZINC195148; HMS3604K06; HMS1370D17; 2429AE; STK984200; SBB028111; AKOS000300418; MCULE-1797370196; DB07723; CCG-108176; DS-3311; AK403360; SC-43672; BIM-0030775.P001; TR-055403; AX8188175

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)

219.24

Logarithm of the Partition Coefficient (xlogp)

1.7

Rotatable Bond Count (rotbonds)

4

Hydrogen Bond Donor Count (hbonddonor)

2

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C12H13NO3
IUPAC Name: 3-(5-methoxy-1H-indol-3-yl)propanoic acid
Canonical SMILES: COC1=CC2=C(C=C1)NC=C2CCC(=O)O
InChI: InChI=1S/C12H13NO3/c1-16-9-3-4-11-10(6-9)8(7-13-11)2-5-12(14)15/h3-4,6-7,13H,2,5H2,1H3,(H,14,15)
InChIKey: ZLSZCJIWILJKMR-UHFFFAOYSA-N