| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA298537
Max Phase: Preclinical
Molecular Formula: C23H18N4O3
Molecular Weight: 398.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(C2=C(c3cn(C)c4ccc(C(N)=O)cc34)C(=O)NC2=O)c2ccccc21
Standard InChI: InChI=1S/C23H18N4O3/c1-26-10-15(13-5-3-4-6-17(13)26)19-20(23(30)25-22(19)29)16-11-27(2)18-8-7-12(21(24)28)9-14(16)18/h3-11H,1-2H3,(H2,24,28)(H,25,29,30)
Standard InChI Key: MAVRPMAQYGWFRL-UHFFFAOYSA-N
Associated Targets(non-human)
Protein kinase C gamma 137 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: 398.42 | Molecular Weight (Monoisotopic): 398.1379 | AlogP: 2.34 | #Rotatable Bonds: 3 |
| Polar Surface Area: 99.12 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 9.71 | CX Basic pKa: | CX LogP: 2.20 | CX LogD: 2.19 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.52 | Np Likeness Score: -0.42 |
References
| 1. Davis PD, Hill CH, Lawton G, Nixon JS, Wilkinson SE, Hurst SA, Keech E, Turner SE.. (1992) Inhibitors of protein kinase C. 1. 2,3-Bisarylmaleimides., 35 (1): [PMID:1732526] [10.1021/jm00079a024] |
Source
Source(1):