Details of the Drug

General Information of Drug (ID: DMX4ZWK)

Drug Name
REC-15-2739
Synonyms
Upidosin; UPIDOSIN; Rec-15-2739; 152735-23-4; UNII-TXG28R7G4Y; TXG28R7G4Y; CHEMBL278865; 4H-1-Benzopyran-8-carboxamide,N-[3-[4-(2-methoxyphenyl)-1-piperazinyl]propyl]-3-methyl-4-oxo-2-phenyl-; Upidosin [INN]; N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide; SB 216469-S; Rec 15-2739; ACMC-20n6iu; AC1L3XX2; GTPL496; SCHEMBL6638869; CTK4C7558; DTXSID70165115; Rec 15/2739; ZINC3796141; BDBM50057465; AKOS030553705; SB 216469; L000508; SB-216469; REC-15-2869; REC-15-3011; REC-22/009
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): 1 Molecular Weight (mw) 511.6
Logarithm of the Partition Coefficient (xlogp) 4.8
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C31H33N3O4
IUPAC Name
N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]-3-methyl-4-oxo-2-phenylchromene-8-carboxamide
Canonical SMILES
CC1=C(OC2=C(C1=O)C=CC=C2C(=O)NCCCN3CCN(CC3)C4=CC=CC=C4OC)C5=CC=CC=C5
InChI
InChI=1S/C31H33N3O4/c1-22-28(35)24-12-8-13-25(30(24)38-29(22)23-10-4-3-5-11-23)31(36)32-16-9-17-33-18-20-34(21-19-33)26-14-6-7-15-27(26)37-2/h3-8,10-15H,9,16-21H2,1-2H3,(H,32,36)
InChIKey
DUCNHKDCVVSJLG-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
148842
ChEBI ID
CHEMBL278865
CAS Number
152735-23-4
TTD ID
D0P9FT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adrenergic receptor alpha-1A (ADRA1A) TTNGILX ADA1A_HUMAN Inhibitor [2]
Adrenergic receptor alpha-1D (ADRA1D) TT34BHT ADA1D_HUMAN Modulator [3]
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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-1A (ADRA1A) DTT ADRA1A 9.43E-01 -0.03 -0.25
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 800003537)
2 Pharmacophore identification of alpha(1A)-adrenoceptor antagonists. Bioorg Med Chem Lett. 2005 Feb 1;15(3):657-64.
3 Functional antagonistic activity of Rec 15/2739, a novel alpha-1 antagonist selective for the lower urinary tract, on noradrenaline-induced contraction of human prostate and mesenteric artery. J Pharmacol Exp Ther. 1996 Jun;277(3):1237-46.