| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA128554
Max Phase: Preclinical
Molecular Formula: C21H13NO5
Molecular Weight: 359.34
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)c1cc2cc(O)c(O)cc2c(C(=O)c2cccc3ccccc23)n1
Standard InChI: InChI=1S/C21H13NO5/c23-17-9-12-8-16(21(26)27)22-19(15(12)10-18(17)24)20(25)14-7-3-5-11-4-1-2-6-13(11)14/h1-10,23-24H,(H,26,27)
Standard InChI Key: PJXFJCFLPQNCFQ-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: 359.34 | Molecular Weight (Monoisotopic): 359.0794 | AlogP: 3.73 | #Rotatable Bonds: 3 |
| Polar Surface Area: 107.72 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.11 | CX Basic pKa: 6.61 | CX LogP: 1.94 | CX LogD: 1.10 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.38 | Np Likeness Score: 0.18 |
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):