Details of the Drug

General Information of Drug (ID: DMKZL5H)

Drug Name
N-Methylmesoporphyrin Containing Copper
Synonyms N-METHYLMESOPORPHYRIN CONTAINING COPPER
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):
1		 Molecular Weight 643.3
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Chemical Identifiers
Formula
C35H39CuN4O4+
IUPAC Name
copper;3-[18-(2-carboxyethyl)-7,12-diethyl-3,8,13,17,23-pentamethylporphyrin-21-id-2-yl]propanoic acid
Canonical SMILES
CCC1=C(C2=CC3=C(C(=C(N3C)C=C4C(=C(C(=N4)C=C5C(=C(C(=CC1=N2)[N-]5)C)CCC(=O)O)CCC(=O)O)C)C)CC)C.[Cu+2]
InChI
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;+2/p-1
InChIKey
WLMGFVUEDVZKTK-UHFFFAOYSA-M
Cross-matching ID
PubChem CID
5162683
DrugBank ID
DB02188
TTD ID
D00GJZ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Ferrochelatase (FECH) TTQ6VF4 HEMH_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.