Details of the Drug

General Information of Drug (ID: DMRV4DT)

Drug Name

AT1001

Synonyms

Larazotide acetate; Larazotide acetate [USAN]; AT-1001; 881851-50-9; Larazotide acetate (USAN); UNII-FO8S2IW40N; AT 1001; FO8S2IW40N; CHEMBL2103815; NYGCNONRVCGHAT-UFIKZEAMSA-N; HY-106268A; CS-8047; D09352; Glycylglycyl-L-valyl-L-leucyl-L-valyl-L-glutaminyl-L-prolylglycine acetate; Glycine, glycylglycyl-L-valyl-L-leucyl-L-valyl-L-glutaminyl-L-prolyl-, monoacetate

Indication

Disease Entry	ICD 11	Status	REF
Autoimmune diabetes	5A10	Phase 3	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

785.9

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Chemical Identifiers

Formula: C34H59N9O12
IUPAC Name: acetic acid;2-[[(2S)-1-[(2S)-5-amino-2-[[(2S)-2-[[(2S)-2-[[(2S)-2-[[2-[(2-aminoacetyl)amino]acetyl]amino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoyl]pyrrolidine-2-carbonyl]amino]acetic acid
Canonical SMILES: CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCC(=O)N)C(=O)N1CCC[C@H]1C(=O)NCC(=O)O)NC(=O)[C@H](C(C)C)NC(=O)CNC(=O)CN.CC(=O)O
InChI: InChI=1S/C32H55N9O10.C2H4O2/c1-16(2)12-20(38-30(49)26(17(3)4)39-24(44)14-35-23(43)13-33)28(47)40-27(18(5)6)31(50)37-19(9-10-22(34)42)32(51)41-11-7-8-21(41)29(48)36-15-25(45)46;1-2(3)4/h16-21,26-27H,7-15,33H2,1-6H3,(H2,34,42)(H,35,43)(H,36,48)(H,37,50)(H,38,49)(H,39,44)(H,40,47)(H,45,46);1H3,(H,3,4)/t19-,20-,21-,26-,27-;/m0./s1
InChIKey: NYGCNONRVCGHAT-UFIKZEAMSA-N

Cross-matching ID

PubChem CID: 44146842
CAS Number: 881851-50-9
TTD ID: D00GZY

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Haptoglobin (HP)	TTLC8E1	HPT_HUMAN	Modulator	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00925301) Study of the Effects of Oral AT1001 (Migalastat Hydrochloride) in Patients With Fabry Disease. U.S. National Institutes of Health.
2	Zonulin, regulation of tight junctions, and autoimmune diseases