ID: ALA143589
Chembl Id: CHEMBL143589
PubChem CID: 15719279
Max Phase: Preclinical
Molecular Formula: C15H22N2O2
Molecular Weight: 262.35
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)CCNC(=O)C(=O)C(N)Cc1ccccc1
Standard InChI: InChI=1S/C15H22N2O2/c1-11(2)8-9-17-15(19)14(18)13(16)10-12-6-4-3-5-7-12/h3-7,11,13H,8-10,16H2,1-2H3,(H,17,19)
Standard InChI Key: XAUVMEDLJUGOBV-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 |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 262.35 | Molecular Weight (Monoisotopic): 262.1681 | AlogP: 1.29 | #Rotatable Bonds: 7 |
| Polar Surface Area: 72.19 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 13.52 | CX Basic pKa: 6.57 | CX LogP: 2.39 | CX LogD: 2.33 |
| Aromatic Rings: 1 | Heavy Atoms: 19 | QED Weighted: 0.73 | Np Likeness Score: -0.16 |
| 1. Ocain TD, Rich DH.. (1992) alpha-Keto amide inhibitors of aminopeptidases., 35 (3): [PMID:1738140] [10.1021/jm00081a005] |
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