| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4437828
Max Phase: Preclinical
Molecular Formula: C20H23NO6
Molecular Weight: 373.41
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: COc1cc(CNC(=O)/C=C/c2cc(OC)c(OC)cc2OC)ccc1O
Standard InChI: InChI=1S/C20H23NO6/c1-24-16-11-19(27-4)18(26-3)10-14(16)6-8-20(23)21-12-13-5-7-15(22)17(9-13)25-2/h5-11,22H,12H2,1-4H3,(H,21,23)/b8-6+
Standard InChI Key: FKSNICXLSIXVCD-SOFGYWHQSA-N
Associated Targets(Human)
SH-SY5Y 11521 Activities
Associated Targets(non-human)
Chorioallantoic membrane 375 Activities
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Gallus gallus 1187 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: Unknown | 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 |
|---|
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: 373.41 | Molecular Weight (Monoisotopic): 373.1525 | AlogP: 2.76 | #Rotatable Bonds: 8 |
| Polar Surface Area: 86.25 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.93 | CX Basic pKa: | CX LogP: 2.34 | CX LogD: 2.34 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.69 | Np Likeness Score: -0.04 |
References
| 1. Zhang WX, Wang H, Cui HR, Guo WB, Zhou F, Cai DS, Xu B, Jia XH, Huang XM, Yang YQ, Chen HS, Qi JC, Wang PL, Lei HM.. (2019) Design, synthesis and biological evaluation of cinnamic acid derivatives with synergetic neuroprotection and angiogenesis effect., 183 [PMID:31541868] [10.1016/j.ejmech.2019.111695] |
Source
Source(1):