| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3273922
Max Phase: Preclinical
Molecular Formula: C6H11NO3
Molecular Weight: 145.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@@]1(C(=O)O)CCC[C@@H]1O
Standard InChI: InChI=1S/C6H11NO3/c7-6(5(9)10)3-1-2-4(6)8/h4,8H,1-3,7H2,(H,9,10)/t4-,6-/m0/s1
Standard InChI Key: HGIWJIYAECWSED-NJGYIYPDSA-N
Associated Targets(non-human)
Jensen sarcoma (11 Activities)
Escherichia coli (133304 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Enterococcus faecalis (29875 Activities)
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Lactiplantibacillus plantarum (102 Activities)
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | 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 |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 145.16 | Molecular Weight (Monoisotopic): 145.0739 | AlogP: -0.69 | #Rotatable Bonds: 1 |
| Polar Surface Area: 83.55 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.16 | CX Basic pKa: 9.30 | CX LogP: -2.90 | CX LogD: -2.91 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.46 | Np Likeness Score: 1.69 |
References
| 1. Gaitanopoulos DE, Nash J, Dunn DL, Skinner CG.. (1976) Racemic diastereoisomers of 1-amino-2-hydroxycyclopentanecarboxylic acid., 19 (2): [PMID:814238] [10.1021/jm00224a031] |
Source
Source(1):