Details of the Drug

General Information of Drug (ID: DMOWIGC)

Drug Name
DASANTAFIL
Synonyms
Dasantafil < USAN; SCH-446132; 7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[2(R)-hydroxycyclopent-1(R)-ylamino]-3-(2-hydroxyethyl)-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 7-(3-Bromo-4-methoxybenzyl)-1-ethyl-8-[2(R)-hydroxycyclopent-1(R)-ylamino]-3-(2-hydroxyethyl)xanthine
Indication
Disease Entry ICD 11 Status REF
Erectile dysfunction HA01.1 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 522.4
Logarithm of the Partition Coefficient (xlogp) 2.1
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C22H28BrN5O5
IUPAC Name
7-[(3-bromo-4-methoxyphenyl)methyl]-1-ethyl-8-[[(1R,2R)-2-hydroxycyclopentyl]amino]-3-(2-hydroxyethyl)purine-2,6-dione
Canonical SMILES
CCN1C(=O)C2=C(N=C(N2CC3=CC(=C(C=C3)OC)Br)N[C@@H]4CCC[C@H]4O)N(C1=O)CCO
InChI
InChI=1S/C22H28BrN5O5/c1-3-26-20(31)18-19(27(9-10-29)22(26)32)25-21(24-15-5-4-6-16(15)30)28(18)12-13-7-8-17(33-2)14(23)11-13/h7-8,11,15-16,29-30H,3-6,9-10,12H2,1-2H3,(H,24,25)/t15-,16-/m1/s1
InChIKey
RCJYGWGQCPDYSL-HZPDHXFCSA-N
Cross-matching ID
PubChem CID
9871410
CAS Number
569351-91-3
TTD ID
D0K2QG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Erectile dysfunction
ICD Disease Classification HA01.1
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Phosphodiesterase 5A (PDE5A) DTT PDE5A 1.60E-01 -0.25 -0.99
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 800018967)
2 Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health & Human Services. 2015