ID: ALA4461557
Chembl Id: CHEMBL4461557
PubChem CID: 90645640
Max Phase: Preclinical
Molecular Formula: C21H22N2O4
Molecular Weight: 366.42
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(/C=C/c1ccc(O)cc1)NCCCNC(=O)/C=C/c1ccc(O)cc1
Standard InChI: InChI=1S/C21H22N2O4/c24-18-8-2-16(3-9-18)6-12-20(26)22-14-1-15-23-21(27)13-7-17-4-10-19(25)11-5-17/h2-13,24-25H,1,14-15H2,(H,22,26)(H,23,27)/b12-6+,13-7+
Standard InChI Key: UZNZJNJAIMYLNV-PWHKKFIBSA-N
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 366.42 | Molecular Weight (Monoisotopic): 366.1580 | AlogP: 2.45 | #Rotatable Bonds: 8 |
| Polar Surface Area: 98.66 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.12 | CX Basic pKa: | CX LogP: 2.39 | CX LogD: 2.38 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.43 | Np Likeness Score: 0.06 |
| 1. Ha JH, Park SN.. (2018) Dimeric cinnamoylamide analogues for regulation of tyrosinase activity in melanoma cells: A role of diamide-link chain length., 26 (23-24): [PMID:30446440] [10.1016/j.bmc.2018.10.036] |
Source(1):
