Details of the Drug

General Information of Drug (ID: DM4FMZP)

Drug Name
N-Methylmesoporphyrin
Synonyms
N-METHYLMESOPORPHYRIN; 3,3'-(8,13-diethyl-3,7,12,17,22-pentamethylporphyrin-2,18-diyl)dipropanoic acid; 3,3'-(8,13-diethyl-3,7,12,17,22-pentamethyl-22,24-dihydroporphyrin-2,18-diyl)dipropanoic acid; 21-Methylmesoporphyrin; AC1L9GRR; SCHEMBL505199; DB01911; J2.132.966E; 3,8,13,17,23-Pentamethyl-7,12-diethyl-21H,23H-porphyrin-2,18-dipropanoic acid; 3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17,22-pentamethyl-23H-porphyrin-2-yl]propanoic acid
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 (mw) 580.7
Logarithm of the Partition Coefficient (xlogp) 4.6
Rotatable Bond Count (rotbonds) 8
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 6
Chemical Identifiers
Formula
C35H40N4O4
IUPAC Name
3-[18-(2-carboxyethyl)-8,13-diethyl-3,7,12,17,22-pentamethyl-23H-porphyrin-2-yl]propanoic acid
Canonical SMILES
CCC1=C(C2=CC3=C(C(=C(N3C)C=C4C(=C(C(=N4)C=C5C(=C(C(=N5)C=C1N2)C)CCC(=O)O)CCC(=O)O)C)C)CC)C
InChI
InChI=1S/C35H40N4O4/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/h14-17,37H,8-13H2,1-7H3,(H,40,41)(H,42,43)
InChIKey
ZIBXESYSFXNOJI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
444708
CAS Number
142234-85-3
DrugBank ID
DB01911
TTD ID
D0X5ZA

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.