| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA132276
Max Phase: Preclinical
Molecular Formula: C18H12BrNO7
Molecular Weight: 434.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc2cc(C(=O)O)nc(C(=O)c3ccc(O)c(O)c3)c2c(Br)c1O
Standard InChI: InChI=1S/C18H12BrNO7/c1-27-12-6-8-4-9(18(25)26)20-15(13(8)14(19)17(12)24)16(23)7-2-3-10(21)11(22)5-7/h2-6,21-22,24H,1H3,(H,25,26)
Standard InChI Key: IJKZXTUQQILWMJ-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: 434.20 | Molecular Weight (Monoisotopic): 432.9797 | AlogP: 3.05 | #Rotatable Bonds: 4 |
| Polar Surface Area: 137.18 | Molecular Species: ACID | HBA: 7 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.04 | CX Basic pKa: 6.05 | CX LogP: 1.37 | CX LogD: -0.22 |
| Aromatic Rings: 3 | Heavy Atoms: 27 | QED Weighted: 0.36 | Np Likeness Score: 0.52 |
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):