Details of the Drug

General Information of Drug (ID: DMX7ECD)

Drug Name
(+)-S-14297
Synonyms (+)S14297
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 273.4
Logarithm of the Partition Coefficient (xlogp) 4.5
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C18H27NO
IUPAC Name
N,N-dipropyl-2,3,5,6,7,8-hexahydrobenzo[f][1]benzofuran-7-amine
Canonical SMILES
CCCN(CCC)C1CCC2=CC3=C(C=C2C1)OCC3
InChI
InChI=1S/C18H27NO/c1-3-8-19(9-4-2)17-6-5-14-11-15-7-10-20-18(15)13-16(14)12-17/h11,13,17H,3-10,12H2,1-2H3
InChIKey
IJICKINLCUKIHY-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
115007
CAS Number
121454-18-0
TTD ID
D0PV6G

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Antagonist [2]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Antagonist [3]
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
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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: 955).
2 Functional correlates of dopamine D3 receptor activation in the rat in vivo and their modulation by the selective antagonist, (+)-S 14297: 1. Activation of postsynaptic D3 receptors mediates hypothermia, whereas blockade of D2 receptors elicits prolactin secretion and catalepsy. J Pharmacol Exp Ther. 1995 Nov;275(2):885-98.
3 S 14297, a novel selective ligand at cloned human dopamine D3 receptors, blocks 7-OH-DPAT-induced hypothermia in rats. Eur J Pharmacol. 1994 Aug 1;260(2-3):R3-5.