ID: ALA4276900
Chembl Id: CHEMBL4276900
PubChem CID: 117063768
Max Phase: Preclinical
Molecular Formula: C15H29NO
Molecular Weight: 239.40
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: C=CCCCCCCCCC1OCCN1CC
Standard InChI: InChI=1S/C15H29NO/c1-3-5-6-7-8-9-10-11-12-15-16(4-2)13-14-17-15/h3,15H,1,4-14H2,2H3
Standard InChI Key: JAVMQJKTKNYVDO-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 |
|---|
| Molecular Weight: 239.40 | Molecular Weight (Monoisotopic): 239.2249 | AlogP: 3.97 | #Rotatable Bonds: 10 |
| Polar Surface Area: 12.47 | Molecular Species: NEUTRAL | HBA: 2 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: 6.68 | CX LogP: 4.56 | CX LogD: 4.48 |
| Aromatic Rings: ┄ | Heavy Atoms: 17 | QED Weighted: 0.42 | Np Likeness Score: 0.47 |
| 1. Uko NE, Güner OF, Barnett LMA, Matesic DF, Bowen JP.. (2018) Discovery and biological activity of computer-assisted drug designed Akt pathway inhibitors., 28 (19): [PMID:30143420] [10.1016/j.bmcl.2018.08.006] |
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