Details of the Drug

General Information of Drug (ID: DM38F9T)

Drug Name

YM-348

Synonyms

YM348; YM-348; YM 348; 372163-84-3; CHEMBL407909; (2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine; (S)-2-(7-Ethyl-1H-furo(2,3-g)indazol-1-yl)-1-methylethylamine; (S)-2-(7-ethyl-1H-furo[2,3-g]indazol-1-yl)-1-methylethylamine; AC1MIIFB; GTPL230; SCHEMBL1981665; DTXSID50190708; BDBM50375450; HY-100330; LS-193532; CS-0018481; 1H-Furo(2,3-g)indazole-1-ethanamine, 7-ethyl-alpha-methyl-, (S)-; 1H-Furo(2,3-g)indazole-1-ethanamine, 7-ethyl-alpha-methyl-, (alphaS)-

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

243.3

Logarithm of the Partition Coefficient (xlogp)

2.2

Rotatable Bond Count (rotbonds)

3

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

3

Chemical Identifiers

Formula: C14H17N3O
IUPAC Name: (2S)-1-(7-ethylfuro[2,3-g]indazol-1-yl)propan-2-amine
Canonical SMILES: CCC1=CC2=C(O1)C=CC3=C2N(N=C3)C[C@H](C)N
InChI: InChI=1S/C14H17N3O/c1-3-11-6-12-13(18-11)5-4-10-7-16-17(14(10)12)8-9(2)15/h4-7,9H,3,8,15H2,1-2H3/t9-/m0/s1
InChIKey: QLOOWOVVZLBYHU-VIFPVBQESA-N

Cross-matching ID

PubChem CID: 3045225
CAS Number: 372163-84-3
TTD ID: D0H5XR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
5-HT 2A receptor (HTR2A)	TTJQOD7	5HT2A_HUMAN	Inhibitor	[2]
5-HT 2B receptor (HTR2B)	TT0K1SC	5HT2B_HUMAN	Inhibitor	[2]
5-HT 2C receptor (HTR2C)	TTWJBZ5	5HT2C_HUMAN	Inhibitor	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Molecular Expression Atlas of This Drug

The Studied Disease

Discovery agent

ICD Disease Classification

N.A.

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
5-HT 2C receptor (HTR2C)	DTT	HTR2C	1.02E-02	-0.45	-0.37
5-HT 2C receptor (HTR2C)	DTT	HTR2C	2.27E-01	0.27	0.6
5-HT 2A receptor (HTR2A)	DTT	HTR2A	1.68E-01	-0.3	-0.14
5-HT 2A receptor (HTR2A)	DTT	HTR2A	5.59E-01	0.15	0.21
5-HT 2B receptor (HTR2B)	DTT	HTR2B	1.29E-01	-0.04	-0.14
5-HT 2B receptor (HTR2B)	DTT	HTR2B	1.13E-01	-0.04	-0.26

Molecular Expression Atlas (MEA)

MEA Detail

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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. (Ligand id: 230).
2	Synthesis and structure-activity relationships of a series of benzazepine derivatives as 5-HT2C receptor agonists. Bioorg Med Chem. 2008 Mar 15;16(6):3309-20.