| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3986715
Max Phase: Preclinical
Molecular Formula: C15H13N3O2
Molecular Weight: 267.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(-c2n[nH]c3ccc(C(N)=O)cc23)cc1
Standard InChI: InChI=1S/C15H13N3O2/c1-20-11-5-2-9(3-6-11)14-12-8-10(15(16)19)4-7-13(12)17-18-14/h2-8H,1H3,(H2,16,19)(H,17,18)
Standard InChI Key: UDJDNKGGBIIFJV-UHFFFAOYSA-N
Associated Targets(Human)
c-Jun N-terminal kinase 2 4655 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: 267.29 | Molecular Weight (Monoisotopic): 267.1008 | AlogP: 2.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 81.00 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.65 | CX Basic pKa: 1.58 | CX LogP: 2.02 | CX LogD: 2.02 |
| Aromatic Rings: 3 | Heavy Atoms: 20 | QED Weighted: 0.76 | Np Likeness Score: -1.10 |
References
| 1. (2002) Indazole derivatives as JNK inhibitors and compositions and methods related thereto, |
Source
Source(1):