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]
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
ChEBI ID
CHEMBL407909
CAS Number
372163-84-3
TTD ID
D0H5XR
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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 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
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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.