| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA555149
Max Phase: Preclinical
Molecular Formula: C10H11N3O2
Molecular Weight: 205.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: N#Cc1ccc(C[C@H](N)C(=O)NO)cc1
Standard InChI: InChI=1S/C10H11N3O2/c11-6-8-3-1-7(2-4-8)5-9(12)10(14)13-15/h1-4,9,15H,5,12H2,(H,13,14)/t9-/m0/s1
Standard InChI Key: LBUVBAXZCRTNMC-VIFPVBQESA-N
Associated Targets(Human)
Tyrosine-protein kinase CSK 2395 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: 205.22 | Molecular Weight (Monoisotopic): 205.0851 | AlogP: -0.07 | #Rotatable Bonds: 3 |
| Polar Surface Area: 99.14 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.80 | CX Basic pKa: 7.55 | CX LogP: -0.12 | CX LogD: -0.33 |
| Aromatic Rings: 1 | Heavy Atoms: 15 | QED Weighted: 0.47 | Np Likeness Score: -0.54 |
References
| 1. Gu X, Wang Y, Kumar A, Ye G, Parang K, Sun G.. (2006) Design and evaluation of hydroxamate derivatives as metal-mediated inhibitors of a protein tyrosine kinase., 49 (25): [PMID:17149882] [10.1021/jm061058c] |
Source
Source(1):