| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA339236
Max Phase: Preclinical
Molecular Formula: C19H15NO7
Molecular Weight: 369.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(C(=O)c2nc(C(=O)O)cc3cc(OC)c(O)cc23)cc1O
Standard InChI: InChI=1S/C19H15NO7/c1-26-15-4-3-9(6-13(15)21)18(23)17-11-8-14(22)16(27-2)7-10(11)5-12(20-17)19(24)25/h3-8,21-22H,1-2H3,(H,24,25)
Standard InChI Key: VEOXQWGYGMQICJ-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: 369.33 | Molecular Weight (Monoisotopic): 369.0849 | AlogP: 2.59 | #Rotatable Bonds: 5 |
| Polar Surface Area: 126.18 | Molecular Species: ACID | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.11 | CX Basic pKa: 6.63 | CX LogP: 0.64 | CX LogD: -0.15 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.59 | Np Likeness Score: 0.48 |
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):