| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA292347
Max Phase: Preclinical
Molecular Formula: C18H13NO7
Molecular Weight: 355.30
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(C(=O)O)cc2n1
Standard InChI: InChI=1S/C18H13NO7/c20-14-2-1-8(4-16(14)22)3-9-5-13(18(25)26)19-12-6-11(17(23)24)15(21)7-10(9)12/h1-2,4-7,20-22H,3H2,(H,23,24)(H,25,26)
Standard InChI Key: LTLKAYSXZLGXHZ-UHFFFAOYSA-N
Associated Targets(Human)
Insulin-like growth factor binding protein 5 37 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: 355.30 | Molecular Weight (Monoisotopic): 355.0692 | AlogP: 2.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 148.18 | Molecular Species: ACID | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.06 | CX Basic pKa: 4.45 | CX LogP: 3.03 | CX LogD: -3.02 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.45 | Np Likeness Score: 0.39 |
References
| 1. Zhu YF, Wang XC, Connors P, Wilcoxen K, Gao Y, Gross R, Strack N, Gross T, McCarthy JR, Xie Q, Ling N, Chen C.. (2003) Quinoline-carboxylic acids are potent inhibitors that inhibit the binding of insulin-like growth factor (IGF) to IGF-binding proteins., 13 (11): [PMID:12749901] [10.1016/s0960-894x(03)00322-6] |
Source
Source(1):