Details of the Drug

General Information of Drug (ID: DME3POC)

Drug Name
Imisopasem manganese
Synonyms
KM-4403; M-40403; Imisopasem manganese (dermatological, psoriasis/atopic dermatitis); Imisopasem manganese (dermatological,psoriasis/atopic dermatitis), ActivBiotics; Imisopasem manganese (dermatological, psoriasis/atopic dermatitis), Metaphore; M-40403 (dermatological, psoriasis/atopic dermatitis), Metaphore
Indication
Disease Entry ICD 11 Status REF
Pain MG30-MG3Z Phase 2 [1]
Affected Organisms
Humans and other mammals
Drug Type
Small molecular drug
Structure
3D MOL is unavailable 2D MOL
#Ro5 Violations (Lipinski):
0		 Molecular Weight 483.4
Logarithm of the Partition Coefficient Not Available
Rotatable Bond Count 0
Hydrogen Bond Donor Count 4
Hydrogen Bond Acceptor Count 5
Chemical Identifiers
Formula
C21H35Cl2MnN5
IUPAC Name
dichloromanganese;(4R,9R,14R,19R)-3,10,13,20,26-pentazatetracyclo[20.3.1.04,9.014,19]hexacosa-1(26),22,24-triene
Canonical SMILES
C1CC[C@@H]2[C@@H](C1)NCCN[C@@H]3CCCC[C@H]3NCC4=CC=CC(=N4)CN2.Cl[Mn]Cl
InChI
InChI=1S/C21H35N5.2ClH.Mn/c1-3-10-20-18(8-1)22-12-13-23-19-9-2-4-11-21(19)25-15-17-7-5-6-16(26-17)14-24-20;;;/h5-7,18-25H,1-4,8-15H2;2*1H;/q;;;+2/p-2/t18-,19-,20-,21-;;;/m1.../s1
InChIKey
WXEMWBBXVXHEPU-XNPJUPKFSA-L
Cross-matching ID
PubChem CID
6918487
UNII
2Q6R3259KS
DrugBank ID
DB04976
TTD ID
D00OYQ

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Superoxide dismutase Mn (SOD Mn) TT9O4C5 SODM_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT00101621) Pilot Study to Evaluate the Safety and Analgesic Activity of M40403 Co-Administered With an Opioid Agent for Cancer Pain. U.S. National Institutes of Health.
2 The manganese superoxide dismutase mimetic, M40403, protects adult mice from lethal total body irradiation. Free Radic Res. 2010 May;44(5):529-40.