Details of the Drug

General Information of Drug (ID: DM0P59E)

Drug Name
MEBUDIPINE
Synonyms mebudipine; CHEMBL1095098; BAY-n-6391
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 388.4
Logarithm of the Partition Coefficient (xlogp) 3.5
Rotatable Bond Count (rotbonds) 6
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 7
Chemical Identifiers
Formula
C20H24N2O6
IUPAC Name
5-O-tert-butyl 3-O-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Canonical SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC(C)(C)C)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC
InChI
InChI=1S/C20H24N2O6/c1-11-15(18(23)27-6)17(13-8-7-9-14(10-13)22(25)26)16(12(2)21-11)19(24)28-20(3,4)5/h7-10,17,21H,1-6H3
InChIKey
YXPRKGBMFPQBDH-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
10407950
ChEBI ID
CHEMBL1095098
TTD ID
D04UDT
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Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Voltage-gated calcium channel alpha Cav1.2 (CACNA1C) TTZIFHC CAC1C_HUMAN Inhibitor [1]
Voltage-gated calcium channel alpha Cav1.3 (CACNA1D) TT7RGTM CAC1D_HUMAN Inhibitor [1]
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References

1 Antagonism of 4-substituted 1,4-dihydropyridine-3,5-dicarboxylates toward voltage-dependent L-type Ca2+ channels Ca V 1.3 and Ca V 1.2. Bioorg Med Chem. 2010 May 1;18(9):3147-58.