Details of the Drug

General Information of Drug (ID: DM23YPS)

Drug Name
UK-51656
Indication
Disease Entry ICD 11 Status REF
Cardiovascular disease BA00-BE2Z Terminated [1]
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 465.9
Logarithm of the Partition Coefficient (xlogp) 2.5
Rotatable Bond Count (rotbonds) 13
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C22H28ClN3O6
IUPAC Name
3-O-ethyl 5-O-methyl 2-[2-[(2-amino-2-oxoethyl)amino]ethoxymethyl]-4-(2-chlorophenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2Cl)C(=O)OC)C)COCCNCC(=O)N
InChI
InChI=1S/C22H28ClN3O6/c1-4-32-22(29)20-16(12-31-10-9-25-11-17(24)27)26-13(2)18(21(28)30-3)19(20)14-7-5-6-8-15(14)23/h5-8,19,25-26H,4,9-12H2,1-3H3,(H2,24,27)
InChIKey
FAKQIHAUXYAVJI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9912345
TTD ID
D08LLR

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Calcium channel unspecific (CaC) TT5HONZ NOUNIPROTAC Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction 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 800003366)
2 Long-acting dihydropyridine calcium antagonists. 4. Synthesis and structure-activity relationships for a series of basic and nonbasic derivatives of 2-[(2-aminoethoxy)methyl]-1,4-dihydropyridine calcium antagonists. J Med Chem. 1990 Feb;33(2):585-91.