Details of the Drug

General Information of Drug (ID: DM5NYWV)

Drug Name
UH-301
Synonyms
UNII-44B1597K8X; CHEMBL41716; 44B1597K8X; 127126-18-5; (R)-7-(Dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol; UH-301 free base, (R)-; Lopac0_001246; (R)-5-Fluoro-8-hydroxy-2-(dipropylamino)tetralin; GTPL3218; SCHEMBL7749343; (R)-(+)-5-Fluoro-8-hydroxy-2-(dipropylamino)tetralin; 1-Naphthalenol, 7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydro-, (R)-; CTK0C1981; ZINC3874894; BDBM50013020; 1-Naphthalenol, 7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydro-, (7R)-
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 265.37
Logarithm of the Partition Coefficient (xlogp) 4.2
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C16H24FNO
IUPAC Name
(7S)-7-(dipropylamino)-4-fluoro-5,6,7,8-tetrahydronaphthalen-1-ol
Canonical SMILES
CCCN(CCC)[C@H]1CCC2=C(C=CC(=C2C1)O)F
InChI
InChI=1S/C16H24FNO/c1-3-9-18(10-4-2)12-5-6-13-14(11-12)16(19)8-7-15(13)17/h7-8,12,19H,3-6,9-11H2,1-2H3/t12-/m0/s1
InChIKey
FNKBVTBXFLSTPB-LBPRGKRZSA-N
Cross-matching ID
PubChem CID
122187
ChEBI ID
CHEMBL22778
CAS Number
127126-21-0
TTD ID
D06ROA
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
5-HT 1A receptor (HTR1A) TTSQIFT 5HT1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1B (ADRA1B) TTBRKXS ADA1B_HUMAN Inhibitor [1]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Inhibitor [1]
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
5-HT 1A receptor (HTR1A) DTT HTR1A 7.49E-01 -0.02 -0.06
5-HT 1A receptor (HTR1A) DTT HTR1A 3.45E-01 -0.02 -0.14
Dopamine D2 receptor (D2R) DTT DRD2 9.39E-01 -0.01 -0.05
Dopamine D2 receptor (D2R) DTT DRD2 9.91E-01 -0.02 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

References

1 N-[2-[(substituted chroman-8-yl)oxy]ethyl]-4-(4-methoxyphenyl)butylamines: synthesis and wide range of antagonism at the human 5-HT1A receptor. J Med Chem. 1997 Apr 11;40(8):1252-7.