Details of the Drug

General Information of Drug (ID: DM0YXRQ)

Drug Name
PD-128483
Synonyms
CCRIS 4394; PD-128483; PD 128483; 153260-23-2; 115688-97-6; C11H15N3S; 6-Methyl-4,5,5a,6,7,8-hexahydrothiazolo(4,5-f)quinolin-2-amine; 4,5,5a,6,7,8-Hexahydro-6-methylthiazolo(4,5-f)quinoline-2-amine; Thiazolo(4,5-f)quinolin-2-amine, 4,5,5a,6,7,8-hexahydro-6-methyl-, (+-)-; CCRIS 6698; 6-METHYL-4,5,5A,6,7,8-HEXAHYDROTHIAZOLO[4,5-F]QUINOLIN-2-AMINE; 4,5,5A,6,7,8-HEXAHYDRO-6-METHYLTHIAZOLO[4,5-F]QUINOLINE-2-AMINE; XFJSSDHKIXXJLM-UHFFFAOYSA-N; AC1L2Y0S; CHEMBL350920; SCHEMBL10665477; AKOS022654211; LS-172297; LS-190761
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 221.32
Logarithm of the Partition Coefficient (xlogp) 1.3
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C11H15N3S
IUPAC Name
6-methyl-5,5a,7,8-tetrahydro-4H-[1,3]thiazolo[4,5-f]quinolin-2-amine
Canonical SMILES
CN1CCC=C2C1CCC3=C2N=C(S3)N
InChI
InChI=1S/C11H15N3S/c1-14-6-2-3-7-8(14)4-5-9-10(7)13-11(12)15-9/h3,8H,2,4-6H2,1H3,(H2,12,13)
InChIKey
XFJSSDHKIXXJLM-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
130792
CAS Number
115688-97-6
TTD ID
D01TSN

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]
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
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 Synthesis and pharmacological evaluation of the enantiomers of the dopamine autoreceptor agonist PD 135385, Bioorg. Med. Chem. Lett. 3(4):639-644 (1993).