| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA336069
Max Phase: Preclinical
Molecular Formula: C16H13NO5
Molecular Weight: 299.28
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Oc1cc2cc(O)c(O)cc2c(Cc2ccc(O)c(O)c2)n1
Standard InChI: InChI=1S/C16H13NO5/c18-12-2-1-8(4-13(12)19)3-11-10-7-15(21)14(20)5-9(10)6-16(22)17-11/h1-2,4-7,18-21H,3H2,(H,17,22)
Standard InChI Key: OZKHVCSGRBQRGG-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: 299.28 | Molecular Weight (Monoisotopic): 299.0794 | AlogP: 2.35 | #Rotatable Bonds: 2 |
| Polar Surface Area: 114.04 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.28 | CX Basic pKa: 0.76 | CX LogP: 2.79 | CX LogD: 2.73 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.46 | Np Likeness Score: 0.39 |
References
| 1. Chen C, Zhu YF, Liu XJ, Lu ZX, Xie Q, Ling N.. (2001) Discovery of a series of nonpeptide small molecules that inhibit the binding of insulin-like growth factor (IGF) to IGF-binding proteins., 44 (23): [PMID:11689087] [10.1021/jm010304b] |
Source
Source(1):