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]
------------------------------------------------------------------------------------

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
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)

MIA Detail

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.