| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5288028
Max Phase: Preclinical
Molecular Formula: C18H20N2O2
Molecular Weight: 296.37
Associated Items:
Representations
Canonical SMILES: CC/C(=N/NC(=O)c1ccccc1)c1cc(C)cc(C)c1O
Standard InChI: InChI=1S/C18H20N2O2/c1-4-16(15-11-12(2)10-13(3)17(15)21)19-20-18(22)14-8-6-5-7-9-14/h5-11,21H,4H2,1-3H3,(H,20,22)/b19-16-
Standard InChI Key: KGMRUQDFACJFOA-MNDPQUGUSA-N
Associated Targets(Human)
DLD-1 17511 Activities
SW480 6023 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | Topical: No | First In Class: No | Black Box: No |
| Chirality: No | Availability: No | Prodrug: No |
Drug Indications
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 296.37 | Molecular Weight (Monoisotopic): 296.1525 | AlogP: 3.55 | #Rotatable Bonds: 4 |
| Polar Surface Area: 61.69 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.38 | CX Basic pKa: 1.14 | CX LogP: 4.23 | CX LogD: 4.23 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.67 | Np Likeness Score: -0.99 |
References
| 1. Phull MS, Jadav SS, Gundla R, Mainkar PS.. (2021) A perspective on medicinal chemistry approaches towards adenomatous polyposis coli and Wnt signal based colorectal cancer inhibitors., 212 [PMID:33445154] [10.1016/j.ejmech.2020.113149] |
Source
Source(1):