Details of the Drug

General Information of Drug (ID: DM1I7UO)

Drug Name
Cyclocreatine
Synonyms Cyclocreatinine; AM-285
Indication
Disease Entry ICD 11 Status REF
Virus infection 1A24-1D9Z Discontinued in Phase 1 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 143.14
Logarithm of the Partition Coefficient (xlogp) -1.6
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 3
Chemical Identifiers
Formula
C5H9N3O2
IUPAC Name
2-(2-amino-4,5-dihydroimidazol-1-yl)acetic acid
Canonical SMILES
C1CN(C(=N1)N)CC(=O)O
InChI
InChI=1S/C5H9N3O2/c6-5-7-1-2-8(5)3-4(9)10/h1-3H2,(H2,6,7)(H,9,10)
InChIKey
AMHZIUVRYRVYBA-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
2896
CAS Number
35404-50-3
UNII
6732XGX1RK
DrugBank ID
DB17624
TTD ID
D0Z8LA

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein kinase (PK) TTU8W4S NOUNIPROTAC Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5491).
2 Direct determination of creatine kinase equilibrium constants with creatine or cyclocreatine substrate. Biochim Biophys Acta. 1989 Oct 19;998(3):317-20.