| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA291454
Max Phase: Preclinical
Molecular Formula: C23H17NO6
Molecular Weight: 403.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc2cc(O)c(O)cc2c(C(O)c2ccc(Oc3ccccc3)cc2)n1
Standard InChI: InChI=1S/C23H17NO6/c25-19-11-14-10-18(23(28)29)24-21(17(14)12-20(19)26)22(27)13-6-8-16(9-7-13)30-15-4-2-1-3-5-15/h1-12,22,25-27H,(H,28,29)
Standard InChI Key: PDAXRDHWWKGDAJ-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: 403.39 | Molecular Weight (Monoisotopic): 403.1056 | AlogP: 4.22 | #Rotatable Bonds: 5 |
| Polar Surface Area: 120.11 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.15 | CX Basic pKa: 5.98 | CX LogP: 2.06 | CX LogD: 0.78 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.37 | Np Likeness Score: 0.32 |
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] |
Source
Source(1):