Details of the Drug

General Information of Drug (ID: DMAPV1B)

Drug Name

Glatiramer acetate

Synonyms

Glatiramer acetate; Copaxone; 147245-92-9; Copolymer 1; Copolymer-1; COP-1; Protiramer; Glatopa; L-Glutamic acid peptide with L-alanine, L-lysine and L-tyrosine, acetate (salt); L-alanine compound with L-glutamic acid and L-lysine and L-tyrosine and acetic acid (1:1:1:1:1); (2S)-2,6-diaminohexanoic acid; TV 5010; UNII-5M691HL4BO; Glatirameracetat; Glatiramer acetate [USAN:BAN]; AC1MIXQC; 5M691HL4BO

Indication

Disease Entry	ICD 11	Status	REF
Multiple sclerosis	8A40	Approved	[1], [2]

Therapeutic Class

Immunosuppressive Agents

Drug Type

Small molecular drug

Sequence

>Glatiramer peptide
EAYKAAEKAYAAKEAAKEAAKAKAEKKAAYAKAKAAKYEKKAKKAAAEYKKK

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

623.7

Topological Polar Surface Area

Not Available

Rotatable Bond Count

13

Hydrogen Bond Donor Count

12

Hydrogen Bond Acceptor Count

18

Chemical Identifiers

Formula: C25H45N5O13
IUPAC Name: acetic acid;(2S)-2-amino-3-(4-hydroxyphenyl)propanoic acid;(2S)-2-aminopentanedioic acid;(2S)-2-aminopropanoic acid;(2S)-2,6-diaminohexanoic acid
Canonical SMILES: C[C@@H](C(=O)O)N.CC(=O)O.C1=CC(=CC=C1C[C@@H](C(=O)O)N)O.C(CCN)C[C@@H](C(=O)O)N.C(CC(=O)O)[C@@H](C(=O)O)N
InChI: InChI=1S/C9H11NO3.C6H14N2O2.C5H9NO4.C3H7NO2.C2H4O2/c10-8(9(12)13)5-6-1-3-7(11)4-2-6;7-4-2-1-3-5(8)6(9)10;6-3(5(9)10)1-2-4(7)8;1-2(4)3(5)6;1-2(3)4/h1-4,8,11H,5,10H2,(H,12,13);5H,1-4,7-8H2,(H,9,10);3H,1-2,6H2,(H,7,8)(H,9,10);2H,4H2,1H3,(H,5,6);1H3,(H,3,4)/t8-;5-;3-;2-;/m0000./s1
InChIKey: FHEAIOHRHQGZPC-KIWGSFCNSA-N

Cross-matching ID

PubChem CID: 3081884
CAS Number: 147245-92-9
TTD ID: D04CRL
ACDINA ID: D01127

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
MHC class II antigen DRB1*1 (HLA-DRB1)	TTLCMWF	2B11_HUMAN	Binder	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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Drug Inactive Ingredient(s) (DIG) and Formulation(s) of This Drug

DIG

DIG Name	DIG ID	PubChem CID	Functional Classification
Mannitol	E00103	6251	Diluent; Flavoring agent; Lyophilization aid; Plasticizing agent; Tonicity agent
Water	E00035	962	Solvent
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Pharmaceutical Formulation

Formulation Name	Drug Dosage	Dosage Form	Route
Glatiramer Acetate 40mg/ml injectable	40mg/ml	Injectable	Subcutaneous

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References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 1058).
2	The glatiramoid class of immunomodulator drugs. Expert Opin Pharmacother. 2009 Mar;10(4):657-68.
3	Mechanism of action of glatiramer acetate in multiple sclerosis and its potential for the development of new applications. Proc Natl Acad Sci U S A. 2004 Oct 5;101 Suppl 2:14593-8.