ID: ALA403386
Chembl Id: CHEMBL403386
Cas Number: 119593-44-1
PubChem CID: 11094754
Max Phase: Preclinical
Molecular Formula: C6H11NO3
Molecular Weight: 145.16
Molecule Type: Small molecule
Associated Items:
Synonyms: (2R,3S)-3-Hydroxypipecolic Acid | (2R,3S)-3-hydroxypiperidine-2-carboxylic acid|119593-44-1|(2R,3S)-3-Hydroxypipecolic Acid|2-Piperidinecarboxylicacid,3-hydroxy-,(2R,3S)-(9CI)|CHEMBL403386|SCHEMBL2964302|FDMYUQHVJYNDLI-CRCLSJGQSA-N|AKOS006348935|(+/-)-(cis)-3-Hydroxypipecolic acid|cis-3-Hydroxy-piperidine-2-carboxylic acid|(2R,3S)-3-hydroxypiperidine-2-carboxylicacid|2-Piperidinecarboxylic acid,3-hydroxy-,(2R,3S)-|(2R,3S)-rel-3-Hydroxypiperidine-2-carboxylic acid
Canonical SMILES: O=C(O)[C@@H]1NCCC[C@@H]1O
Standard InChI: InChI=1S/C6H11NO3/c8-4-2-1-3-7-5(4)6(9)10/h4-5,7-8H,1-3H2,(H,9,10)/t4-,5+/m0/s1
Standard InChI Key: FDMYUQHVJYNDLI-CRCLSJGQSA-N
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| Natural Product: Yes | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Molecular Weight: 145.16 | Molecular Weight (Monoisotopic): 145.0739 | AlogP: -0.82 | #Rotatable Bonds: 1 |
| Polar Surface Area: 69.56 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 1.75 | CX Basic pKa: 9.79 | CX LogP: -3.20 | CX LogD: -3.20 |
| Aromatic Rings: ┄ | Heavy Atoms: 10 | QED Weighted: 0.45 | Np Likeness Score: 1.60 |
| 1. Ohara C, Takahashi R, Miyagawa T, Yoshimura Y, Kato A, Adachi I, Takahata H.. (2008) Synthesis of all stereoisomers of 3-hydroxypipecolic acid and 3-hydroxy-4,5-dehydropipecolic acid and their evaluation as glycosidase inhibitors., 18 (6): [PMID:18296050] [10.1016/j.bmcl.2008.02.028] |
| 2. Yoshimura Y, Ohara C, Imahori T, Saito Y, Kato A, Miyauchi S, Adachi I, Takahata H.. (2008) Synthesis of both enantiomers of hydroxypipecolic acid derivatives equivalent to 5-azapyranuronic acids and evaluation of their inhibitory activities against glycosidases., 16 (17): [PMID:18703340] [10.1016/j.bmc.2008.06.016] |
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