| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA216226
Max Phase: Preclinical
Molecular Formula: C10H8N2O
Molecular Weight: 172.19
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): Quinoline-3-Carboxamide
Synonyms from Alternative Forms(1):
Canonical SMILES: NC(=O)c1cnc2ccccc2c1
Standard InChI: InChI=1S/C10H8N2O/c11-10(13)8-5-7-3-1-2-4-9(7)12-6-8/h1-6H,(H2,11,13)
Standard InChI Key: BLTDCIWCFCUQCB-UHFFFAOYSA-N
Associated Targets(non-human)
Histone acetyltransferase GCN5 89 Activities
Molecule Features
| Natural Product: Yes | 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: 172.19 | Molecular Weight (Monoisotopic): 172.0637 | AlogP: 1.33 | #Rotatable Bonds: 1 |
| Polar Surface Area: 55.98 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.81 | CX Basic pKa: 3.04 | CX LogP: 0.98 | CX LogD: 0.98 |
| Aromatic Rings: 2 | Heavy Atoms: 13 | QED Weighted: 0.71 | Np Likeness Score: -1.40 |
References
| 1. Mai A, Rotili D, Tarantino D, Ornaghi P, Tosi F, Vicidomini C, Sbardella G, Nebbioso A, Miceli M, Altucci L, Filetici P.. (2006) Small-molecule inhibitors of histone acetyltransferase activity: identification and biological properties., 49 (23): [PMID:17154519] [10.1021/jm060601m] |
Source
Source(1):