| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4209050
Max Phase: Preclinical
Molecular Formula: C30H26ClFO5
Molecular Weight: 520.98
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1(C)C=Cc2c(cc(O)c3c(=O)c(CCC(C)(O)c4ccc(F)cc4)c(-c4ccccc4Cl)oc23)O1
Standard InChI: InChI=1S/C30H26ClFO5/c1-29(2)14-12-20-24(37-29)16-23(33)25-26(34)21(13-15-30(3,35)17-8-10-18(32)11-9-17)27(36-28(20)25)19-6-4-5-7-22(19)31/h4-12,14,16,33,35H,13,15H2,1-3H3
Standard InChI Key: JDSXWPFIRMISSZ-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: 520.98 | Molecular Weight (Monoisotopic): 520.1453 | AlogP: 6.98 | #Rotatable Bonds: 5 |
| Polar Surface Area: 79.90 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 7.57 | CX Basic pKa: | CX LogP: 6.87 | CX LogD: 6.65 |
| Aromatic Rings: 4 | Heavy Atoms: 37 | QED Weighted: 0.30 | Np Likeness Score: 1.25 |
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):