| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA128069
Max Phase: Preclinical
Molecular Formula: C20H19NO6
Molecular Weight: 369.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)c2nc(O)cc3cc(OC)c(OC)cc23)cc1OC
Standard InChI: InChI=1S/C20H19NO6/c1-24-14-6-5-11(7-15(14)25-2)20(23)19-13-10-17(27-4)16(26-3)8-12(13)9-18(22)21-19/h5-10H,1-4H3,(H,21,22)
Standard InChI Key: SGMDPIGHJKCPHI-UHFFFAOYSA-N
Associated Targets(Human)
Insulin-like growth factor binding protein 3 46 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: 369.37 | Molecular Weight (Monoisotopic): 369.1212 | AlogP: 3.21 | #Rotatable Bonds: 6 |
| Polar Surface Area: 87.11 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 11.16 | CX Basic pKa: 1.08 | CX LogP: 3.25 | CX LogD: 3.25 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.67 | Np Likeness Score: -0.03 |
References
| 1. Chen C, Zhu YF, Liu XJ, Lu ZX, Xie Q, Ling N.. (2001) Discovery of a series of nonpeptide small molecules that inhibit the binding of insulin-like growth factor (IGF) to IGF-binding proteins., 44 (23): [PMID:11689087] [10.1021/jm010304b] |
Source
Source(1):