Details of the Drug

General Information of Drug (ID: DM13YRT)

Drug Name

AEOL-10150

Synonyms

AEOL-10112; AEOL-10113; AEOL-10113); AEOL-10123

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Preclinical	[1]
------------------------------------------------------------------------------------

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
2

Molecular Weight

1033.2

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

12

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

9

Chemical Identifiers

Formula: C48H56Cl5MnN12
IUPAC Name: manganese(3+);5,10,15,20-tetrakis(1,3-diethylimidazol-1-ium-2-yl)porphyrin-22,24-diide;pentachloride
Canonical SMILES: CCN1C=C[N+](=C1C2=C3C=CC(=C(C4=NC(=C(C5=CC=C([N-]5)C(=C6C=CC2=N6)C7=[N+](C=CN7CC)CC)C8=[N+](C=CN8CC)CC)C=C4)C9=[N+](C=CN9CC)CC)[N-]3)CC.[Cl-].[Cl-].[Cl-].[Cl-].[Cl-].[Mn+3]
InChI: InChI=1S/C48H56N12.5ClH.Mn/c1-9-53-25-26-54(10-2)45(53)41-33-17-19-35(49-33)42(46-55(11-3)27-28-56(46)12-4)37-21-23-39(51-37)44(48-59(15-7)31-32-60(48)16-8)40-24-22-38(52-40)43(36-20-18-34(41)50-36)47-57(13-5)29-30-58(47)14-6;;;;;;/h17-32H,9-16H2,1-8H3;5*1H;/q+2;;;;;;+3/p-5
InChIKey: XMYHQLIAYLLEKT-UHFFFAOYSA-I

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Superoxide dismutase Cu-Zn (SOD Cu-Zn)	TT6RVLG	SODC_HUMAN	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800013050)
2	AEOL-10150 (Aeolus). Curr Opin Investig Drugs. 2006 Jan;7(1):70-80.