Details of the Drug

General Information of Drug (ID: DM3SUKX)

• Drug Name: SK&F-89626
• Synonyms: SK-89626

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 247.31
  Logarithm of the Partition Coefficient (xlogp); 1.8
  Rotatable Bond Count (rotbonds); 1
  Hydrogen Bond Donor Count (hbonddonor); 3
  Hydrogen Bond Acceptor Count (hbondacc); 4
• Chemical Identifiers:
  Formula: C13H13NO2S
  IUPAC Name: 4-[(4S)-4,5,6,7-tetrahydrothieno[2,3-c]pyridin-4-yl]benzene-1,2-diol
  Canonical SMILES: C1[C@H](C2=C(CN1)SC=C2)C3=CC(=C(C=C3)O)O
  InChI: InChI=1S/C13H13NO2S/c15-11-2-1-8(5-12(11)16)10-6-14-7-13-9(10)3-4-17-13/h1-5,10,14-16H,6-7H2/t10-/m0/s1
  InChIKey: QDKUSZZMIFQVPN-JTQLQIEISA-N
• Cross-matching ID:
  PubChem CID: 6604005
  TTD ID: D0I7CE

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Dopamine D1 receptor (D1R)	TTZFYLI	DRD1_HUMAN	Inhibitor	[1]
Dopamine D2 receptor (D2R)	TTEX248	DRD2_HUMAN	Inhibitor	[1]

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 D1 receptor (D1R)	DTT	DRD1	8.99E-01	-0.06	-0.3
Dopamine D2 receptor (D2R)	DTT	DRD2	2.20E-03	-0.51	-1.35

References

• [1] trans-10,11-dihydroxy-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine: a highly potent selective dopamine D1 full agonist. J Med Chem. 1990 Jun;33(6):1756-64.