| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2075020
Max Phase: Preclinical
Molecular Formula: C5H10N2O3
Molecular Weight: 146.15
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CNCC(=O)NCC(=O)O
Standard InChI: InChI=1S/C5H10N2O3/c1-6-2-4(8)7-3-5(9)10/h6H,2-3H2,1H3,(H,7,8)(H,9,10)
Standard InChI Key: XBSXVUHHZXULRO-UHFFFAOYSA-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: 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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 146.15 | Molecular Weight (Monoisotopic): 146.0691 | AlogP: -1.59 | #Rotatable Bonds: 4 |
| Polar Surface Area: 78.43 | Molecular Species: ZWITTERION | HBA: 3 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.66 | CX Basic pKa: 8.80 | CX LogP: -4.29 | CX LogD: -4.31 |
| Aromatic Rings: 0 | Heavy Atoms: 10 | QED Weighted: 0.45 | Np Likeness Score: -0.26 |
References
| 1. Terada T, Sawada K, Irie M, Saito H, Hashimoto Y, Inui K.. (2000) Structural requirements for determining the substrate affinity of peptide transporters PEPT1 and PEPT2., 440 (1): [PMID:11007306] [10.1007/s004240000339] |
Source
Source(1):