| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3335240
Max Phase: Preclinical
Molecular Formula: C15H13N3O3
Molecular Weight: 283.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1ccc(/C=N/c2ccc3[nH]c(=O)[nH]c3c2)c(O)c1
Standard InChI: InChI=1S/C15H13N3O3/c1-21-11-4-2-9(14(19)7-11)8-16-10-3-5-12-13(6-10)18-15(20)17-12/h2-8,19H,1H3,(H2,17,18,20)/b16-8+
Standard InChI Key: BXMSNYFJMFDEGS-LZYBPNLTSA-N
Associated Targets(Human)
Tyrosine-protein kinase BRK 2605 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: 283.29 | Molecular Weight (Monoisotopic): 283.0957 | AlogP: 2.32 | #Rotatable Bonds: 3 |
| Polar Surface Area: 90.47 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 8.75 | CX Basic pKa: 1.74 | CX LogP: 2.56 | CX LogD: 2.54 |
| Aromatic Rings: 3 | Heavy Atoms: 21 | QED Weighted: 0.64 | Np Likeness Score: -0.88 |
References
| 1. Shim HJ, Yang HR, Kim HIe, Kang SA, No KT, Jung YH, Lee ST.. (2014) Discovery of (E)-5-(benzylideneamino)-1H-benzo[d]imidazol-2(3H)-one derivatives as inhibitors for PTK6., 24 (19): [PMID:25205190] [10.1016/j.bmcl.2014.08.036] |
Source
Source(1):