| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA292612
Max Phase: Preclinical
Molecular Formula: C18H11NO7
Molecular Weight: 353.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc3c(c2)OCO3)n1
Standard InChI: InChI=1S/C18H11NO7/c20-12-4-9-3-11(18(23)24)19-16(10(9)6-13(12)21)17(22)8-1-2-14-15(5-8)26-7-25-14/h1-6,20-21H,7H2,(H,23,24)
Standard InChI Key: BDRHEHSJXWNJDT-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: 353.29 | Molecular Weight (Monoisotopic): 353.0536 | AlogP: 2.30 | #Rotatable Bonds: 3 |
| 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: 6.62 | CX LogP: 0.57 | CX LogD: -0.26 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.48 | Np Likeness Score: 0.38 |
References
| 1. Zhu YF, Wilcoxen K, Gross T, Connors P, Strack N, Gross R, Huang CQ, McCarthy JR, Xie Q, Ling N, Chen C.. (2003) 6,7-dihydroxyisoquinoline-3-carboxylic acids are potent inhibitors on the binding of insulin-like growth factor (IGF) to IGF-binding proteins: optimization of the 1-position benzoyl side chain., 13 (11): [PMID:12749900] [10.1016/s0960-894x(03)00321-4] |
| 2. 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):