Details of the Drug

General Information of Drug (ID: DMDBO89)

Drug Name

FA-70

Indication

Disease Entry	ICD 11	Status	REF
Major depressive disorder	6A70.3	Investigative	[1]
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Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

242.32

Logarithm of the Partition Coefficient (xlogp)

2.1

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

2

Chemical Identifiers

Formula: C15H18N2O
IUPAC Name: 2-[[but-2-ynyl(methyl)amino]methyl]-1-methylindol-5-ol
Canonical SMILES: CC#CCN(C)CC1=CC2=C(N1C)C=CC(=C2)O
InChI: InChI=1S/C15H18N2O/c1-4-5-8-16(2)11-13-9-12-10-14(18)6-7-15(12)17(13)3/h6-7,9-10,18H,8,11H2,1-3H3
InChIKey: VJSXYTMXFSBYDX-UHFFFAOYSA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Monoamine oxidase type A (MAO-A)	TT3WG5C	AOFA_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease

Major depressive disorder

ICD Disease Classification

6A70.3

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Monoamine oxidase type A (MAO-A)	DTT	MAOA	8.14E-01	0.05	0.1

Molecular Expression Atlas (MEA)

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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. (Target id: 2489).