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)

MIA Detail

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)

MEA Detail

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