Drug Information
| Drug General Information | Top | |||
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| Drug ID |
D0W3UL
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| Former ID |
DNC002883
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| Drug Name |
2-Thiomethyl-3-Phenylpropanoic Acid
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| 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
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| Drug Type |
Small molecular drug
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| Indication | Discovery agent [ICD-11: N.A.] | Investigative | [1], [2] | |
| Structure |
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Download2D MOL |
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| Formula |
C10H12O2S
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| Canonical SMILES |
C1=CC=C(C=C1)CC(CS)C(=O)O
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| InChI |
1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)/t9-/m1/s1
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| InChIKey |
ZUEBVBPVXLQMQR-SECBINFHSA-N
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| PubChem Compound ID | ||||
| PubChem Substance ID | ||||
| Target and Pathway | Top | |||
|---|---|---|---|---|
| Target(s) | Carboxypeptidase A1 (CPA1) | Target Info | Inhibitor | [3] |
| Matrix metalloproteinase-8 (MMP-8) | Target Info | Inhibitor | [1] | |
| Panther Pathway | Alzheimer disease-presenilin pathway | |||
| Reactome | Collagen degradation | |||
| Degradation of the extracellular matrix | ||||
| Activation of Matrix Metalloproteinases | ||||
| WikiPathways | Activation of Matrix Metalloproteinases | |||
| Matrix Metalloproteinases | ||||
| References | Top | |||
|---|---|---|---|---|
| REF 1 | How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6. | |||
| REF 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. (Ligand id: 8676). | |||
| REF 3 | 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). | |||
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