Details of the Drug

General Information of Drug (ID: DMWLHBQ)

Drug Name
D-264
Synonyms D-264; CHEMBL514885; SCHEMBL10075564; BDBM50273996; (S)-N6-(2-(4-(biphenyl-4-yl)piperazin-1-yl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzo[d]thiazole-2,6-diamine
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): 1 Molecular Weight (mw) 475.7
Logarithm of the Partition Coefficient (xlogp) 5.6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C28H37N5S
IUPAC Name
(6S)-6-N-[2-[4-(4-phenylphenyl)piperazin-1-yl]ethyl]-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine
Canonical SMILES
CCCN(CCN1CCN(CC1)C2=CC=C(C=C2)C3=CC=CC=C3)[C@H]4CCC5=C(C4)SC(=N5)N
InChI
InChI=1S/C28H37N5S/c1-2-14-32(25-12-13-26-27(21-25)34-28(29)30-26)18-15-31-16-19-33(20-17-31)24-10-8-23(9-11-24)22-6-4-3-5-7-22/h3-11,25H,2,12-21H2,1H3,(H2,29,30)/t25-/m0/s1
InChIKey
YDLWLYDTYNHXBM-VWLOTQADSA-N
Cross-matching ID
PubChem CID
24866612
ChEBI ID
CHEMBL514885
TTD ID
D06HTJ
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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 [1]
Dopamine D3 receptor (D3R) TT4C8EA DRD3_HUMAN Inhibitor [1]
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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
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 Investigation of various N-heterocyclic substituted piperazine versions of 5/7-{[2-(4-aryl-piperazin-1-yl)-ethyl]-propyl-amino}-5,6,7,8-tetrahydro-... Bioorg Med Chem. 2009 Jun 1;17(11):3923-33.