Details of the Drug

General Information of Drug (ID: DMW4ARM)

Drug Name
(2S)-1-(5-fluoro-1H-indazol-1-yl)propan-2-amine
Synonyms CHEMBL257503; (S)-1-(5-Fluoro-1H-indazol-1-yl)propan-2-amine; 210580-57-7; BDBM50375463; AKOS024258782
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) 193.22
Logarithm of the Partition Coefficient (xlogp) 1.1
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C10H12FN3
IUPAC Name
(2S)-1-(5-fluoroindazol-1-yl)propan-2-amine
Canonical SMILES
C[C@@H](CN1C2=C(C=C(C=C2)F)C=N1)N
InChI
InChI=1S/C10H12FN3/c1-7(12)6-14-10-3-2-9(11)4-8(10)5-13-14/h2-5,7H,6,12H2,1H3/t7-/m0/s1
InChIKey
ILPBKZWYZJHZAZ-ZETCQYMHSA-N
Cross-matching ID
PubChem CID
44452853
TTD ID
D0Q9KP

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 [1]
5-HT 2C receptor (HTR2C) TTWJBZ5 5HT2C_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

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
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 Synthesis and structure-activity relationships of a series of substituted 2-(1H-furo[2,3-g]indazol-1-yl)ethylamine derivatives as 5-HT2C receptor a... Bioorg Med Chem. 2008 Feb 15;16(4):1966-82.