| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA57742
Max Phase: Preclinical
Molecular Formula: C17H10N2O7
Molecular Weight: 354.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2ccc([N+](=O)[O-])cc2)n1
Standard InChI: InChI=1S/C17H10N2O7/c20-13-6-9-5-12(17(23)24)18-15(11(9)7-14(13)21)16(22)8-1-3-10(4-2-8)19(25)26/h1-7,20-21H,(H,23,24)
Standard InChI Key: HXTDUDJJZNBWCV-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: 354.27 | Molecular Weight (Monoisotopic): 354.0488 | AlogP: 2.48 | #Rotatable Bonds: 4 |
| Polar Surface Area: 150.86 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.60 | CX Basic pKa: 1.11 | CX LogP: 0.89 | CX LogD: 0.02 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.28 | Np Likeness Score: -0.11 |
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):