Details of the Drug

General Information of Drug (ID: DMV3Y8R)

Drug Name
BRL-61063
Synonyms
Cipamfylline; 132210-43-6; UNII-AFP56R140L; AFP56R140L; CHEMBL356323; Cipamfylline [USAN:INN]; Cipamfyllinum; AC1Q6LCD; 8-Amino-1,3-bis(cyclopropylmethyl)xanthine; Cipamfylline (USAN/INN); AC1L2G0B; SCHEMBL26990; MLS006010682; SCHEMBL8327157; Brl 61063; 8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione; DTXSID50157437; Cipamfylline, > KSPYMJJKQMWWNB-UHFFFAOYSA-N; ZINC3781835; BDBM50040348; 1,3-dicyclopropylmethyl-8-amino xanthine; SMR004701664; 8-Amino-1,3-di(cyclopropylmethyl)xanthine; D03516
Indication
Disease Entry ICD 11 Status REF
Allergy 4A80-4A85 Discontinued in Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 275.31
Logarithm of the Partition Coefficient (xlogp) 0.8
Rotatable Bond Count (rotbonds) 4
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C13H17N5O2
IUPAC Name
8-amino-1,3-bis(cyclopropylmethyl)-7H-purine-2,6-dione
Canonical SMILES
C1CC1CN2C3=C(C(=O)N(C2=O)CC4CC4)NC(=N3)N
InChI
InChI=1S/C13H17N5O2/c14-12-15-9-10(16-12)17(5-7-1-2-7)13(20)18(11(9)19)6-8-3-4-8/h7-8H,1-6H2,(H3,14,15,16)
InChIKey
KSPYMJJKQMWWNB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
71356
ChEBI ID
CHEMBL356323
CAS Number
132210-43-6
TTD ID
D0K2BQ
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Adenosine A1 receptor (ADORA1) TTK25J1 AA1R_HUMAN Inhibitor [2]
Phosphodiesterase 5A (PDE5A) TTJ0IQB PDE5A_HUMAN Inhibitor [2]
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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 800004678)
2 Inhibition of cyclic nucleotide phosphodiesterase by derivatives of 1,3-bis(cyclopropylmethyl)xanthine. J Med Chem. 1994 Feb 18;37(4):476-85.