ID: ALA27690
Chembl Id: CHEMBL27690
PubChem CID: 14542144
Max Phase: Preclinical
Molecular Formula: C10H19NO3
Molecular Weight: 201.27
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)CC(N)C(=O)CC(C)C(=O)O
Standard InChI: InChI=1S/C10H19NO3/c1-6(2)4-8(11)9(12)5-7(3)10(13)14/h6-8H,4-5,11H2,1-3H3,(H,13,14)
Standard InChI Key: XJWWFJPYTISCLD-UHFFFAOYSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
| Molecular Weight: 201.27 | Molecular Weight (Monoisotopic): 201.1365 | AlogP: 1.04 | #Rotatable Bonds: 6 |
| Polar Surface Area: 80.39 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.46 | CX Basic pKa: 8.12 | CX LogP: -0.89 | CX LogD: -0.94 |
| Aromatic Rings: ┄ | Heavy Atoms: 14 | QED Weighted: 0.67 | Np Likeness Score: 1.00 |
| 1. Harbeson SL, Rich DH.. (1989) Inhibition of aminopeptidases by peptides containing ketomethylene and hydroxyethylene amide bond replacements., 32 (6): [PMID:2566685] [10.1021/jm00126a039] |
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