ID: ALA4468096
Chembl Id: CHEMBL4468096
Cas Number: 37946-59-1
PubChem CID: 44241258
Max Phase: Preclinical
Molecular Formula: C22H24N2O4
Molecular Weight: 380.44
Molecule Type: Unknown
Associated Items:
Canonical SMILES: O=C(/C=C/c1ccc(O)cc1)NCCCCNC(=O)/C=C/c1ccc(O)cc1
Standard InChI: InChI=1S/C22H24N2O4/c25-19-9-3-17(4-10-19)7-13-21(27)23-15-1-2-16-24-22(28)14-8-18-5-11-20(26)12-6-18/h3-14,25-26H,1-2,15-16H2,(H,23,27)(H,24,28)/b13-7+,14-8+
Standard InChI Key: PYVBFDCHJDMSMM-FNCQTZNRSA-N
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| 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 |
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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: 380.44 | Molecular Weight (Monoisotopic): 380.1736 | AlogP: 2.84 | #Rotatable Bonds: 9 |
| 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: 2.90 | CX LogD: 2.90 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.40 | Np Likeness Score: 0.07 |
| 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] |
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