Details of the Drug

General Information of Drug (ID: DM1QXPE)

• Drug Name: ZELANDOPAM HYDROCHLORIDE
• Synonyms: MYD-37; YM-435; Zelandopam hydrochloride; (-)-(S)-4-(3,4-Dihydroxyphenyl)-1,2,3,4-tetrahydro-7,8-isoquinolinediol hydrochloride hydrate; (-)-(S)-4-(3,4-Dihydroxyphenyl)-7,8-dihydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride hydrate

Indication

Disease Entry	ICD 11	Status	REF
Hypertension	BA00-BA04	Discontinued in Phase 2	[1]

• Drug Type: Small molecular drug
• #Ro5 Violations (Lipinski): 1:
  Molecular Weight; 309.74
  Logarithm of the Partition Coefficient; Not Available
  Rotatable Bond Count; 1
  Hydrogen Bond Donor Count; 6
  Hydrogen Bond Acceptor Count; 5
• Chemical Identifiers:
  Formula: C15H16ClNO4
  IUPAC Name: (4S)-4-(3,4-dihydroxyphenyl)-1,2,3,4-tetrahydroisoquinoline-7,8-diol;hydrochloride
  Canonical SMILES: C1[C@H](C2=C(CN1)C(=C(C=C2)O)O)C3=CC(=C(C=C3)O)O.Cl
  InChI: InChI=1S/C15H15NO4.ClH/c17-12-3-1-8(5-14(12)19)10-6-16-7-11-9(10)2-4-13(18)15(11)20;/h1-5,10,16-20H,6-7H2;1H/t10-;/m0./s1
  InChIKey: NHCWZEQEFHNLBQ-PPHPATTJSA-N
• Cross-matching ID:
  PubChem CID: 3078104
  CAS Number: 138086-00-7
  TTD ID: D09ORU

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	Antagonist	[2]

Molecular Expression Atlas of This Drug

• The Studied Disease: Hypertension
• ICD Disease Classification: BA00-BA04

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

References

• [1] Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800002584)
• [2] Effect of zelandopam, a dopamine D1-like receptor agonist, in puromycin aminonucleoside nephrosis rats. Eur J Pharmacol. 2005 Mar 7;510(1-2):121-6.