| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA132212
Max Phase: Preclinical
Molecular Formula: C20H17NO7
Molecular Weight: 383.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(OC)cc23)cc1O
Standard InChI: InChI=1S/C20H17NO7/c1-26-15-5-4-10(7-14(15)22)19(23)18-12-9-17(28-3)16(27-2)8-11(12)6-13(21-18)20(24)25/h4-9,22H,1-3H3,(H,24,25)
Standard InChI Key: IQSBFNXCTOJXNY-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: 383.36 | Molecular Weight (Monoisotopic): 383.1005 | AlogP: 2.90 | #Rotatable Bonds: 6 |
| Polar Surface Area: 115.18 | Molecular Species: ACID | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.10 | CX Basic pKa: 6.64 | CX LogP: 0.78 | CX LogD: 0.03 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.62 | Np Likeness Score: 0.36 |
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):