Details of the Drug

General Information of Drug (ID: DMCYQJF)

Drug Name
L-741626
Synonyms
L-741,626; 81226-60-0; L-741626; 3-(4-(4-Chlorophenyl-4-hydroxypiperidino)methyl)indole; L 741626; L 741,626; CHEMBL445102; 4-(4-Chlorophenyl)-1-(1H-indol-3-ylmethyl)-4-piperidinol; 4-(4-chlorophenyl)-1-(1h-indol-3-ylmethyl)piperidin-4-ol; C20H21ClN2O; 4-Piperidinol, 4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)-; SR-01000075973; Tocris-1003; NCGC00015591-01; Lopac-L-135; Biomol-NT_000036; AC1Q3NO6; Lopac0_000742; GTPL177; MLS000860079; ZINC6788; BPBio1_001094; AC1L335F; SCHEMBL11253588; CHEBI:92090; CTK3I9542; DTXSID30230974
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) 340.8
Topological Polar Surface Area (xlogp) 3.7
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C20H21ClN2O
IUPAC Name
4-(4-chlorophenyl)-1-(1H-indol-3-ylmethyl)piperidin-4-ol
Canonical SMILES
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CC3=CNC4=CC=CC=C43
InChI
InChI=1S/C20H21ClN2O/c21-17-7-5-16(6-8-17)20(24)9-11-23(12-10-20)14-15-13-22-19-4-2-1-3-18(15)19/h1-8,13,22,24H,9-12,14H2
InChIKey
LLBLNMUONVVVPG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
133633
ChEBI ID
CHEBI:92090
CAS Number
81226-60-0
TTD ID
D0M3PV

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 Inhibitor [2]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Inhibitor [2]
Dopamine D4 receptor (D4R) TTE0A2F DRD4_HUMAN Inhibitor [2]
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

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7 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
8 Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
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17 The Detection of Dopamine Gene Receptors (DRD1-DRD5) Expression on Human Peripheral Blood Lymphocytes by Real Time PCR. Iran J Allergy Asthma Immunol. 2004 Dec;3(4):169-74.
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19 CYP2D6 and DRD2 genes differentially impact pharmacodynamic sensitivity and time course of prolactin response to perphenazine. Pharmacogenet Genomics. 2007 Nov;17(11):989-93.
20 Synthesis and in vitro binding of N-phenyl piperazine analogs as potential dopamine D3 receptor ligands. Bioorg Med Chem. 2005 Jan 3;13(1):77-87.
21 Screening of domperidone in wastewater by high performance liquid chromatography and solid phase extraction methods. Talanta. 2006 Jan 15;68(3):928-31.
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24 [The benzamides tiapride, sulpiride, and amisulpride in treatment for Tourette's syndrome]. Nervenarzt. 2007 Mar;78(3):264, 266-8, 270-1.
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