ID: ALA3707141
Chembl Id: CHEMBL3707141
PubChem CID: 122197519
Max Phase: Preclinical
Molecular Formula: C5H10N2O3
Molecular Weight: 146.15
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: [3H]C(C(=O)O)N(C)C(=O)CN
Standard InChI: InChI=1S/C5H10N2O3/c1-7(3-5(9)10)4(8)2-6/h2-3,6H2,1H3,(H,9,10)/i3T
Standard InChI Key: VYAMLSCELQQRAE-WJULDGBESA-N
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| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 146.15 | Molecular Weight (Monoisotopic): 146.0691 | AlogP: -1.51 | #Rotatable Bonds: 3 |
| Polar Surface Area: 83.63 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 3.66 | CX Basic pKa: 8.13 | CX LogP: -4.29 | CX LogD: -4.36 |
| Aromatic Rings: ┄ | Heavy Atoms: 10 | QED Weighted: 0.51 | Np Likeness Score: -0.46 |
| 1. Hu Y, Chen X, Smith DE.. (2012) Species-dependent uptake of glycylsarcosine but not oseltamivir in Pichia pastoris expressing the rat, mouse, and human intestinal peptide transporter PEPT1., 40 (7): [PMID:22490229] [10.1124/dmd.111.044263] |
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