| BioID | bio198390 |
|---|
| Name | None |
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| ChEMBL ID | CHEMBL303352 |
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| Molecular Formula | C8H14O4S |
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| Molecular Weight | 206.26 |
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| Molecular Weight (Monoisotopic) | 206.0613 |
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| Type | Small molecule |
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| Max Phase | -- |
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| Target ID | Tar81 |
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| Target Name | None |
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| Synonyms | 2-(3-Mercaptopropyl)Pentanedioic Acid |
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| Smiles | O=C(O)CCC(CCCS)C(=O)O |
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| Inchi | InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12) |
|---|
| Inchi Key | FNLNSQHJKVQCBP-UHFFFAOYSA-N |
|---|
| Molecular Species | ACID |
|---|
| Targets | 12.0 |
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| Bioactivities | 44.0 |
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| Np Likeness Score | 0.73 |
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| Records Key | ['4d', '2', '3 (R/S)', '2-MPPA', '2-MPPA, GPI 5693', '1, 2-MPPA', '1, 2-MPPA'] |
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| Records Name | ['2-(3-Mercapto-propyl)-pentanedioic acid', '2-(3-Mercapto-propyl)-pentanedioic acid', '2-(3-Mercapto-propyl)-pentanedioic acid', '2-(3-mercaptopropyl)pentanedioic acid', '2-(3-mercaptopropyl)pentanedioic acid', '2-(3-mercaptopropyl)pentanedioic acid', '2-(3-mercaptopropyl)pentanedioic acid'] |
|---|
| Withdrawn Flag | False |
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| Orphan | -1 |
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