| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2074648
Max Phase: Preclinical
Molecular Formula: C6H10N2O5
Molecular Weight: 190.16
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N[C@@H](CC(=O)NCC(=O)O)C(=O)O
Standard InChI: InChI=1S/C6H10N2O5/c7-3(6(12)13)1-4(9)8-2-5(10)11/h3H,1-2,7H2,(H,8,9)(H,10,11)(H,12,13)/t3-/m0/s1
Standard InChI Key: ZTEDWFWBGPKUOD-VKHMYHEASA-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 |
|---|
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 190.16 | Molecular Weight (Monoisotopic): 190.0590 | AlogP: -2.01 | #Rotatable Bonds: 5 |
| Polar Surface Area: 129.72 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.70 | CX Basic pKa: 8.43 | CX LogP: -4.69 | CX LogD: -7.94 |
| Aromatic Rings: 0 | Heavy Atoms: 13 | QED Weighted: 0.40 | Np Likeness Score: 0.20 |
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):