| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA128883
Max Phase: Preclinical
Molecular Formula: C16H11NO5
Molecular Weight: 297.27
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(c1ccc(O)c(O)c1)c1nccc2cc(O)c(O)cc12
Standard InChI: InChI=1S/C16H11NO5/c18-11-2-1-9(6-12(11)19)16(22)15-10-7-14(21)13(20)5-8(10)3-4-17-15/h1-7,18-21H
Standard InChI Key: MXJOCCQOPDSMHV-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: 297.27 | Molecular Weight (Monoisotopic): 297.0637 | AlogP: 2.29 | #Rotatable Bonds: 2 |
| Polar Surface Area: 110.88 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 7.64 | CX Basic pKa: 3.86 | CX LogP: 2.38 | CX LogD: 2.16 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.43 | Np Likeness Score: 0.55 |
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):