MP1

N-METHYLMESOPORPHYRIN CONTAINING COPPER

Created: 1999-09-07
Last modified:  2023-09-23

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Chemical Details

Formal Charge0
Atom Count83
Chiral Atom Count1
Bond Count90
Aromatic Bond Count5
2D diagram of MP1
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Chemical Component Summary

NameN-METHYLMESOPORPHYRIN CONTAINING COPPER
FormulaC35 H39 Cu N4 O4
Molecular Weight643.255
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESCACTVS3.385CCC1=C(C)C2=Cc3n(C)c(C=C4N=C(C=C5[N]([Cu])C(=CC1=N2)C(=C5CCC(O)=O)C)C(=C4C)CCC(O)=O)c(C)c3CC
SMILESOpenEye OEToolkits2.0.7CCC1=C(C2=CC3=C(C(=C4[N]3([Cu]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C
Canonical SMILESCACTVS3.385 CCC1=C(C)C2=Cc3n(C)c(C=C4N=C(C=C5[N@]([Cu])C(=CC1=N2)C(=C5CCC(O)=O)C)C(=C4C)CCC(O)=O)c(C)c3CC
Canonical SMILESOpenEye OEToolkits2.0.7 CCC1=C(C2=CC3=C(C(=C4[N@]3([Cu]56[N]2=C1C=C7N5C(=CC8=[N]6C(=C4)C(=C8CCC(=O)O)C)C(=C7C)CCC(=O)O)C)C)CC)C
InChIInChI1.06 InChI=1S/C35H40N4O4.Cu/c1-8-22-18(3)28-17-33-23(9-2)21(6)32(39(33)7)16-27-20(5)25(11-13-35(42)43)31(38-27)15-30-24(10-12-34(40)41)19(4)26(36-30)14-29(22)37-28;/h14-17H,8-13H2,1-7H3,(H3,36,37,38,40,41,42,43);/q;+1/p-1/b26-14-,27-16-,28-17-,29-14-,30-15-,31-15-,32-16-,33-17-;
InChIKeyInChI1.06 CTVHSHALRXJQNK-ZHZUXMKXSA-M

Drug Info: DrugBank

DrugBank IDDB02188 
NameN-Methylmesoporphyrin containing copper
Groups experimental
Synonyms
  • N-Methylmesoporphyrin containing copper
  • 3-[18-(2-Carboxyethyl)-7,12-diethyl-3,8,13,17,23-pentamethylporphyrin-21-id-2-yl]propanoic acid;copper(1+)

Drug Targets

NameTarget SequencePharmacological ActionActions
FerrochelataseMSRKKMGLLVMAYGTPYKEEDIERYYTHIRRGRKPEPEMLQDLKDRYEAI...unknown
Drug Info/Drug Targets: DrugBank 3.0: a comprehensive resource for 'omics' research on drugs. Knox C, Law V, Jewison T, Liu P, Ly S, Frolkis A, Pon A, Banco K, Mak C, Neveu V, Djoumbou Y, Eisner R, Guo AC, Wishart DS. Nucleic Acids Res. 2011 Jan; 39 (Database issue):D1035-41. | PMID:21059682