| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA219917
Max Phase: Preclinical
Molecular Formula: C9H13N3O2
Molecular Weight: 195.22
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1ccc(C[C@H](N)C(=O)NO)cc1
Standard InChI: InChI=1S/C9H13N3O2/c10-7-3-1-6(2-4-7)5-8(11)9(13)12-14/h1-4,8,14H,5,10-11H2,(H,12,13)/t8-/m0/s1
Standard InChI Key: NEUCJQSTMITBGC-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: 195.22 | Molecular Weight (Monoisotopic): 195.1008 | AlogP: -0.36 | #Rotatable Bonds: 3 |
| Polar Surface Area: 101.37 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 6 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.81 | CX Basic pKa: 7.63 | CX LogP: -0.84 | CX LogD: -1.07 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.30 | Np Likeness Score: 0.18 |
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):