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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

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).