ID: ALA4450699
Chembl Id: CHEMBL4450699
PubChem CID: 90646955
Max Phase: Preclinical
Molecular Formula: C21H22N2O4
Molecular Weight: 366.42
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(/C=C/c1cccc(O)c1)NCCCNC(=O)/C=C/c1cccc(O)c1
Standard InChI: InChI=1S/C21H22N2O4/c24-18-6-1-4-16(14-18)8-10-20(26)22-12-3-13-23-21(27)11-9-17-5-2-7-19(25)15-17/h1-2,4-11,14-15,24-25H,3,12-13H2,(H,22,26)(H,23,27)/b10-8+,11-9+
Standard InChI Key: DBNMGNOATQUFKE-GFULKKFKSA-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: 9.10 | CX Basic pKa: | CX LogP: 2.39 | CX LogD: 2.38 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.43 | Np Likeness Score: 0.04 |
| 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):
