| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA219199
Max Phase: Preclinical
Molecular Formula: C9H11N5O2
Molecular Weight: 221.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: [N-]=[N+]=Nc1ccc(C[C@H](N)C(=O)NO)cc1
Standard InChI: InChI=1S/C9H11N5O2/c10-8(9(15)13-16)5-6-1-3-7(4-2-6)12-14-11/h1-4,8,16H,5,10H2,(H,13,15)/t8-/m0/s1
Standard InChI Key: SOKUTUMSCVAVGB-QMMMGPOBSA-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: 221.22 | Molecular Weight (Monoisotopic): 221.0913 | AlogP: 1.00 | #Rotatable Bonds: 4 |
| Polar Surface Area: 124.11 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.80 | CX Basic pKa: 7.55 | CX LogP: -2.46 | CX LogD: 0.12 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.23 | Np Likeness Score: 0.00 |
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):