| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA299912
Max Phase: Preclinical
Molecular Formula: C17H12ClNO5
Molecular Weight: 345.74
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc(Cc2ccc(O)c(O)c2)c2cc(O)c(Cl)cc2n1
Standard InChI: InChI=1S/C17H12ClNO5/c18-11-7-12-10(6-15(11)21)9(5-13(19-12)17(23)24)3-8-1-2-14(20)16(22)4-8/h1-2,4-7,20-22H,3H2,(H,23,24)
Standard InChI Key: DDVUQQZZOXKKDD-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: 345.74 | Molecular Weight (Monoisotopic): 345.0404 | AlogP: 3.29 | #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: 4.68 | CX LogP: 3.09 | CX LogD: 0.51 |
| Aromatic Rings: 3 | Heavy Atoms: 24 | QED Weighted: 0.54 | Np Likeness Score: 0.18 |
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):