| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA1229070
Max Phase: Preclinical
Molecular Formula: C7H15NO2
Molecular Weight: 145.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)[C@@H](N)CC(C)C
Standard InChI: InChI=1S/C7H15NO2/c1-5(2)4-6(8)7(9)10-3/h5-6H,4,8H2,1-3H3/t6-/m0/s1
Standard InChI Key: QVDXUKJJGUSGLS-LURJTMIESA-N
Associated Targets(non-human)
Solute carrier family 15 member 1 124 Activities
Oligopeptide transporter, kidney isoform 114 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| 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 |
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 |
|---|
Properties
| Molecular Weight: 145.20 | Molecular Weight (Monoisotopic): 145.1103 | AlogP: 0.53 | #Rotatable Bonds: 3 |
| Polar Surface Area: 52.32 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 7.39 | CX LogP: 0.82 | CX LogD: 0.53 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.59 | Np Likeness Score: 0.50 |
References
| 1. Sawada K, Terada T, Saito H, Hashimoto Y, Inui KI.. (1999) Recognition of L-amino acid ester compounds by rat peptide transporters PEPT1 and PEPT2., 291 (1): [PMID:10525090] |
Source
Source(1):