| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA61196
Max Phase: Preclinical
Molecular Formula: C18H16N2O5
Molecular Weight: 340.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2c(Cc3ccc(O)c(O)c3)cc(C(=O)O)nc2cc1N
Standard InChI: InChI=1S/C18H16N2O5/c1-25-17-7-11-10(4-9-2-3-15(21)16(22)5-9)6-14(18(23)24)20-13(11)8-12(17)19/h2-3,5-8,21-22H,4,19H2,1H3,(H,23,24)
Standard InChI Key: NAVPOTSYAPETKK-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: 340.33 | Molecular Weight (Monoisotopic): 340.1059 | AlogP: 2.53 | #Rotatable Bonds: 4 |
| Polar Surface Area: 125.90 | Molecular Species: ACID | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 0.92 | CX Basic pKa: 5.89 | CX LogP: 0.92 | CX LogD: -0.41 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.42 | Np Likeness Score: 0.36 |
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):