ID: ALA142010
Chembl Id: CHEMBL142010
PubChem CID: 44360285
Max Phase: Preclinical
Molecular Formula: C12H26N2O2
Molecular Weight: 230.35
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)CCNC(=O)[C@@H](O)[C@H](N)CC(C)C
Standard InChI: InChI=1S/C12H26N2O2/c1-8(2)5-6-14-12(16)11(15)10(13)7-9(3)4/h8-11,15H,5-7,13H2,1-4H3,(H,14,16)/t10-,11+/m1/s1
Standard InChI Key: MKERBSGRDNFQSK-MNOVXSKESA-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: 230.35 | Molecular Weight (Monoisotopic): 230.1994 | AlogP: 0.88 | #Rotatable Bonds: 7 |
| Polar Surface Area: 75.35 | Molecular Species: BASE | HBA: 3 | HBD: 3 |
| #RO5 Violations: ┄ | HBA (Lipinski): 4 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 12.61 | CX Basic pKa: 8.77 | CX LogP: 1.07 | CX LogD: -0.31 |
| Aromatic Rings: ┄ | Heavy Atoms: 16 | QED Weighted: 0.61 | Np Likeness Score: 0.20 |
| 1. Ocain TD, Rich DH.. (1992) alpha-Keto amide inhibitors of aminopeptidases., 35 (3): [PMID:1738140] [10.1021/jm00081a005] |
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