| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3906163
Max Phase: Preclinical
Molecular Formula: C24H28N2O2
Molecular Weight: 376.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)Cc1ccc(/C=C/C(=O)CC(=O)/C=C/c2ccc(N(C)C)cc2)cc1
Standard InChI: InChI=1S/C24H28N2O2/c1-25(2)18-21-7-5-19(6-8-21)11-15-23(27)17-24(28)16-12-20-9-13-22(14-10-20)26(3)4/h5-16H,17-18H2,1-4H3/b15-11+,16-12+
Standard InChI Key: NXFAPWYSRNCCLI-JOBJLJCHSA-N
Associated Targets(Human)
Matrix metalloproteinase 8 1942 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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 |
|---|
Properties
| Molecular Weight: 376.50 | Molecular Weight (Monoisotopic): 376.2151 | AlogP: 4.07 | #Rotatable Bonds: 9 |
| Polar Surface Area: 40.62 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.76 | CX Basic pKa: 8.11 | CX LogP: 4.97 | CX LogD: 4.29 |
| Aromatic Rings: 2 | Heavy Atoms: 28 | QED Weighted: 0.49 | Np Likeness Score: -0.19 |
References
| 1. (2015) Curcumin analogues as zinc chelators and their uses, |
Source
Source(1):