| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA294258
Max Phase: Preclinical
Molecular Formula: C20H19NO5
Molecular Weight: 353.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)c(C(O)c2nc(C(=O)O)cc3cc(O)c(O)cc23)c(C)c1
Standard InChI: InChI=1S/C20H19NO5/c1-9-4-10(2)17(11(3)5-9)19(24)18-13-8-16(23)15(22)7-12(13)6-14(21-18)20(25)26/h4-8,19,22-24H,1-3H3,(H,25,26)
Standard InChI Key: DFXPACOPQZCCMY-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: 353.37 | Molecular Weight (Monoisotopic): 353.1263 | AlogP: 3.35 | #Rotatable Bonds: 3 |
| Polar Surface Area: 110.88 | Molecular Species: ACID | HBA: 5 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.15 | CX Basic pKa: 5.98 | CX LogP: 2.10 | CX LogD: 0.82 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.54 | Np Likeness Score: 0.46 |
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):