Details of the Drug

General Information of Drug (ID: DMMZQVS)

Drug Name
GYKI-16084
Synonyms Uroflux; IDR-16084; (+)-(R)-2-[3-(Benzo-1,4-dioxan-2-ylmethylamino)propyl]pyridazin-3(2H)-one hydrochloride
Indication
Disease Entry ICD 11 Status REF
Prostate disease GA91 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 301.34
Logarithm of the Partition Coefficient (xlogp) 0.9
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C16H19N3O3
IUPAC Name
2-[3-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]propyl]pyridazin-3-one
Canonical SMILES
C1[C@H](OC2=CC=CC=C2O1)CNCCCN3C(=O)C=CC=N3
InChI
InChI=1S/C16H19N3O3/c20-16-7-3-9-18-19(16)10-4-8-17-11-13-12-21-14-5-1-2-6-15(14)22-13/h1-3,5-7,9,13,17H,4,8,10-12H2/t13-/m1/s1
InChIKey
FJNRJBQUOQLUNQ-CYBMUJFWSA-N
Cross-matching ID
PubChem CID
154069
CAS Number
185739-21-3
TTD ID
D0U0QI

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Antagonist [2]
Adrenergic receptor alpha-2C (ADRA2C) TT2NUT5 ADA2C_HUMAN Antagonist [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Prostate disease
ICD Disease Classification GA91
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Adrenergic receptor alpha-2C (ADRA2C) DTT ADRA2C 1.76E-01 -0.06 -0.28
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

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 800010746)
2 A novel approach to the treatment of benign prostatic hyperplasia. BJU Int. 2006 Jun;97(6):1252-5.