| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4063743
Max Phase: Preclinical
Molecular Formula: C14H8BrIN2O3
Molecular Weight: 459.04
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C1NN(c2ccc(I)cc2)C(=O)/C1=C/c1ccc(Br)o1
Standard InChI: InChI=1S/C14H8BrIN2O3/c15-12-6-5-10(21-12)7-11-13(19)17-18(14(11)20)9-3-1-8(16)2-4-9/h1-7H,(H,17,19)/b11-7+
Standard InChI Key: CHXVQLIBHFWVNX-YRNVUSSQSA-N
Associated Targets(Human)
Receptor-type tyrosine-protein phosphatase O 15 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: 459.04 | Molecular Weight (Monoisotopic): 457.8763 | AlogP: 3.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.55 | Molecular Species: ACID | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.26 | CX Basic pKa: | CX LogP: 2.89 | CX LogD: 2.13 |
| Aromatic Rings: 2 | Heavy Atoms: 21 | QED Weighted: 0.43 | Np Likeness Score: -1.94 |
References
| 1. (2011) GLEPP-1 inhibitors in the treatment of autoimmune and/or inflammatory disorders, |
Source
Source(1):