Details of the Drug

General Information of Drug (ID: DMNUQ9P)

• Drug Name: SKF-89124A
• Synonyms: F 89124; CHEMBL587; 7-HYDROXY ROPINIROLE; 81654-62-8; 4-[2-(dipropylamino)ethyl]-7-hydroxy-1,3-dihydro-2h-indol-2-one; Skf-18924A; Skf 89124A; Skf 89124; F-89124; AC1Q6M2P; AC1L33CC; SCHEMBL2914813; 4-(2-Di-n-propylaminoethyl)-7-hydroxy-2-(3H)indolone; CTK8D5316; DTXSID60231232; 4-[2-(dipropylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one; ZINC5832868; BDBM50019393; 4-(N,N-Dipropyl-2-aminoethyl)-7-hydroxy-2(3H)-indolone hydrochloride; AKOS030547943; 4-(2-di-n-propylaminoethyl)-7-hydroxy-2-(3h)-indolone

Indication

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

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 0:
  Molecular Weight (mw); 276.37
  Logarithm of the Partition Coefficient (xlogp); 2.3
  Rotatable Bond Count (rotbonds); 7
  Hydrogen Bond Donor Count (hbonddonor); 2
  Hydrogen Bond Acceptor Count (hbondacc); 3
• Chemical Identifiers:
  Formula: C16H24N2O2
  IUPAC Name: 4-[2-(dipropylamino)ethyl]-7-hydroxy-1,3-dihydroindol-2-one
  Canonical SMILES: CCCN(CCC)CCC1=C2CC(=O)NC2=C(C=C1)O
  InChI: InChI=1S/C16H24N2O2/c1-3-8-18(9-4-2)10-7-12-5-6-14(19)16-13(12)11-15(20)17-16/h5-6,19H,3-4,7-11H2,1-2H3,(H,17,20)
  InChIKey: PVIICBUWKXYFAA-UHFFFAOYSA-N
• Cross-matching ID:
  PubChem CID: 133741
  CAS Number: 81654-62-8
  TTD ID: D05TZE

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 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

References

• [1] Synthesis and evaluation of non-catechol D-1 and D-2 dopamine receptor agonists: benzimidazol-2-one, benzoxazol-2-one, and the highly potent benzot... J Med Chem. 1987 Jul;30(7):1166-76.