Details of the Drug-Related molecule(s) Interaction Atlas

General Information of Drug (ID: DMCEK6N)

Drug Name

2-Thiomethyl-3-Phenylpropanoic Acid Drug Info

Synonyms

2-Thiomethyl-3-phenylpropanoic acid; 2-THIOMETHYL-3-PHENYLPROPANOIC ACID; CHEMBL90403; (2S)-2-benzyl-3-sulfanylpropanoic acid; S-BMPA; AC1NRAFB; GTPL8676; SCHEMBL1464853; BDBM50281176; DB02953; (S)-2-Mercaptomethyl-3-phenyl-propionic acid; (S)-alpha-(Mercaptomethyl)benzenepropionic acid; (2S)-2-(phenylmethyl)-3-sulfanylpropanoic

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]

Cross-matching ID

PubChem CID: 5287850
TTD Drug ID: DMCEK6N

Molecule-Related Drug Atlas

Molecule Type:

DTT

Drug Status:

Clinical Trial Drug(s)

Discontinued Drug(s)

Investigative Drug(s)

Download the Complete Related Drug List

Drug(s) Targeting Matrix metalloproteinase-8 (MMP-8)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
CIPEMASTAT	DM803GL	Rheumatoid arthritis	FA20	Phase 3	[3]
GM6001	DM7V9CT	Corneal ulcer	9A76	Discontinued in Phase 2	[4]
SC-44463	DMBPNKT	N. A.	N. A.	Terminated	[5]
BB-1101	DM7GH5Z	Multiple sclerosis	8A40	Terminated	[6]
MMI270	DM38N2K	Discovery agent	N.A.	Investigative	[7]
IK-862	DMJA4UE	Discovery agent	N.A.	Investigative	[8]
2-(Biphenyl-4-ylsulfonyl)N-hydroxybenzamide	DMCNV5J	Discovery agent	N.A.	Investigative	[9]
SL422	DM3I2US	Discovery agent	N.A.	Investigative	[10]
[2-(Biphenyl-4-sulfonyl)phenyl]acetic Acid	DM37C25	Discovery agent	N.A.	Investigative	[9]
N-Hydroxy-2-(4-phenoxy-benzenesulfonyl)benzamide	DM4VADN	Discovery agent	N.A.	Investigative	[9]
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⏷ Show the Full List of 10 Drug(s)

Drug(s) Targeting Carboxypeptidase A1 (CPA1)

Drug Name	Drug ID	Indication	ICD 11	Highest Status	REF
DL-benzylsuccinic acid	DMHI9ZJ	Discovery agent	N.A.	Investigative	[11]
PMID18078750C1b	DMO21H5	Discovery agent	N.A.	Investigative	[12]
SQ-14603	DMJW8NV	Discovery agent	N.A.	Investigative	[13]
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Molecular Interaction Atlas of This Drug

Molecular Interaction Atlas

Download the Complete Interaction Atlas for Visualization in Cytoscape

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Carboxypeptidase A1 (CPA1)	TT3LJ6G	CBPA1_HUMAN	Inhibitor	[2]
Matrix metalloproteinase-8 (MMP-8)	TTGA1IV	MMP8_HUMAN	Inhibitor	[1]

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References

1	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
2	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. (Target id: 1587).
3	Matrix metalloproteinase inhibition lowers mortality and brain injury in experimental pneumococcal meningitis. Infect Immun. 2014 Apr;82(4):1710-8.
4	Hydroxamate inhibitors of human gelatinase B (92 kDa), Bioorg. Med. Chem. Lett. 5(4):349-352 (1995).
5	Design and synthesis of a series of (2R)-N(4)-hydroxy-2-(3-hydroxybenzyl)-N(1)- [(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]butanediamide derivati... J Med Chem. 2001 Oct 11;44(21):3347-50.
6	New alpha-substituted succinate-based hydroxamic acids as TNFalpha convertase inhibitors. J Med Chem. 1999 Nov 18;42(23):4890-908.
7	Design, synthesis, and biological evaluation of potent thiazine- and thiazepine-based matrix metalloproteinase inhibitors. J Med Chem. 1999 Nov 4;42(22):4547-62.
8	Discovery of gamma-lactam hydroxamic acids as selective inhibitors of tumor necrosis factor alpha converting enzyme: design, synthesis, and structu... J Med Chem. 2002 Nov 7;45(23):4954-7.
9	Design, synthesis, biological evaluation, and NMR studies of a new series of arylsulfones as selective and potent matrix metalloproteinase-12 inhib... J Med Chem. 2009 Oct 22;52(20):6347-61.
10	Design, synthesis, and structure-activity relationships of macrocyclic hydroxamic acids that inhibit tumor necrosis factor alpha release in vitro and in vivo. J Med Chem. 2001 Aug 2;44(16):2636-60.
11	A new type of five-membered heterocyclic inhibitors of basic metallocarboxypeptidases. Eur J Med Chem. 2009 Aug;44(8):3266-71.
12	Thiol-based angiotensin-converting enzyme 2 inhibitors: P1 modifications for the exploration of the S1 subsite. Bioorg Med Chem Lett. 2008 Jan 15;18(2):732-7.
13	Discovery of potent & selective inhibitors of activated thrombin-activatable fibrinolysis inhibitor for the treatment of thrombosis. J Med Chem. 2007 Nov 29;50(24):6095-103.