ID: ALA4208547
Chembl Id: CHEMBL4208547
Cas Number: 94242-84-9
PubChem CID: 13168364
Max Phase: Preclinical
Molecular Formula: C14H22BNO2
Molecular Weight: 247.15
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC1(C)OB(C(N)Cc2ccccc2)OC1(C)C
Standard InChI: InChI=1S/C14H22BNO2/c1-13(2)14(3,4)18-15(17-13)12(16)10-11-8-6-5-7-9-11/h5-9,12H,10,16H2,1-4H3
Standard InChI Key: ZWWOFGQJWRTEGH-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 |
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| Molecular Weight: 247.15 | Molecular Weight (Monoisotopic): 247.1744 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. Amin SA, Adhikari N, Jha T.. (2018) Design of Aminopeptidase N Inhibitors as Anti-cancer Agents., 61 (15): [PMID:29630364] [10.1021/acs.jmedchem.7b00782] |
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