| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA188908
Max Phase: Preclinical
Molecular Formula: C10H8ClN5O
Molecular Weight: 249.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCn1c(-c2nonc2Cl)nc2cnccc21
Standard InChI: InChI=1S/C10H8ClN5O/c1-2-16-7-3-4-12-5-6(7)13-10(16)8-9(11)15-17-14-8/h3-5H,2H2,1H3
Standard InChI Key: IZGYUNKVFOGOOL-UHFFFAOYSA-N
Associated Targets(Human)
RPS6KA5 Tchem Ribosomal protein S6 kinase alpha 5 (3355 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: 249.66 | Molecular Weight (Monoisotopic): 249.0417 | AlogP: 2.15 | #Rotatable Bonds: 2 |
| Polar Surface Area: 69.63 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.04 | CX LogP: 1.45 | CX LogD: 1.44 |
| Aromatic Rings: 3 | Heavy Atoms: 17 | QED Weighted: 0.70 | Np Likeness Score: -1.76 |
References
| 1. Bamford MJ, Alberti MJ, Bailey N, Davies S, Dean DK, Gaiba A, Garland S, Harling JD, Jung DK, Panchal TA, Parr CA, Steadman JG, Takle AK, Townsend JT, Wilson DM, Witherington J.. (2005) (1H-imidazo[4,5-c]pyridin-2-yl)-1,2,5-oxadiazol-3-ylamine derivatives: a novel class of potent MSK-1-inhibitors., 15 (14): [PMID:15950465] [10.1016/j.bmcl.2005.05.021] |
| 2. Mancini RS, Barden CJ, Weaver DF, Reed MA.. (2021) Furazans in Medicinal Chemistry., 64 (4.0): [PMID:33569941] [10.1021/acs.jmedchem.0c01901] |
Source
Source(1):