| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3985032
Max Phase: Preclinical
Molecular Formula: C15H10ClN5
Molecular Weight: 295.73
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Clc1ccccc1-c1n[nH]c2ccc(-c3ncn[nH]3)cc12
Standard InChI: InChI=1S/C15H10ClN5/c16-12-4-2-1-3-10(12)14-11-7-9(15-17-8-18-21-15)5-6-13(11)19-20-14/h1-8H,(H,19,20)(H,17,18,21)
Standard InChI Key: XBTRTAHIFMEHSS-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: 295.73 | Molecular Weight (Monoisotopic): 295.0625 | AlogP: 3.67 | #Rotatable Bonds: 2 |
| Polar Surface Area: 70.25 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.17 | CX Basic pKa: 2.07 | CX LogP: 3.58 | CX LogD: 3.57 |
| Aromatic Rings: 4 | Heavy Atoms: 21 | QED Weighted: 0.59 | Np Likeness Score: -1.49 |
References
| 1. (2002) Indazole derivatives as JNK inhibitors and compositions and methods related thereto, |
Source
Source(1):