| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4218440
Max Phase: Preclinical
Molecular Formula: C24H21BrO5
Molecular Weight: 469.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)CCc1c(-c2ccccc2Br)oc2c3c(cc(O)c2c1=O)OC(C)(C)C=C3
Standard InChI: InChI=1S/C24H21BrO5/c1-13(26)8-9-16-21(28)20-18(27)12-19-15(10-11-24(2,3)30-19)23(20)29-22(16)14-6-4-5-7-17(14)25/h4-7,10-12,27H,8-9H2,1-3H3
Standard InChI Key: BFZFWUGVPPSPHT-UHFFFAOYSA-N
Associated Targets(non-human)
MC3T3-E1 421 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: 469.33 | Molecular Weight (Monoisotopic): 468.0572 | AlogP: 5.63 | #Rotatable Bonds: 4 |
| Polar Surface Area: 76.74 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 7.57 | CX Basic pKa: | CX LogP: 5.28 | CX LogD: 5.05 |
| Aromatic Rings: 3 | Heavy Atoms: 30 | QED Weighted: 0.54 | Np Likeness Score: 1.79 |
References
| 1. Lin B, Huang JF, Liu XW, Ma XT, Liu XL, Lu Y, Zhou Y, Guo FM, Feng TT.. (2017) Rapid, microwave-accelerated synthesis and anti-osteoporosis activities evaluation of Morusin scaffolds and Morusignin L scaffolds., 27 (11): [PMID:28427808] [10.1016/j.bmcl.2017.04.018] |
Source
Source(1):