| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA56740
Max Phase: Preclinical
Molecular Formula: C24H16FNO6
Molecular Weight: 433.39
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(Oc2ccc(C(=O)c3nc(C(=O)O)cc4cc(O)c(O)cc34)cc2F)cc1
Standard InChI: InChI=1S/C24H16FNO6/c1-12-2-5-15(6-3-12)32-21-7-4-13(8-17(21)25)23(29)22-16-11-20(28)19(27)10-14(16)9-18(26-22)24(30)31/h2-11,27-28H,1H3,(H,30,31)
Standard InChI Key: DNPZWCUURDPIBN-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: 433.39 | Molecular Weight (Monoisotopic): 433.0962 | AlogP: 4.82 | #Rotatable Bonds: 5 |
| Polar Surface Area: 116.95 | Molecular Species: ACID | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.11 | CX Basic pKa: 6.62 | CX LogP: 3.10 | CX LogD: 2.27 |
| Aromatic Rings: 4 | Heavy Atoms: 32 | QED Weighted: 0.31 | Np Likeness Score: -0.28 |
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):