| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2435016
Max Phase: Preclinical
Molecular Formula: C18H13N3O
Molecular Weight: 287.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc[n+]([C-](C=C(C#N)C#N)C(=O)c2ccccc2)cc1
Standard InChI: InChI=1S/C18H13N3O/c1-14-7-9-21(10-8-14)17(11-15(12-19)13-20)18(22)16-5-3-2-4-6-16/h2-11H,1H3
Standard InChI Key: YGNUZKMQKHAKFO-UHFFFAOYSA-N
Associated Targets(Human)
Protein farnesyltransferase 3470 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: 287.32 | Molecular Weight (Monoisotopic): 287.1059 | AlogP: 2.52 | #Rotatable Bonds: 4 |
| Polar Surface Area: 68.53 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.58 | CX Basic pKa: | CX LogP: -1.04 | CX LogD: -1.04 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.38 | Np Likeness Score: -0.48 |
References
| 1. Abuhaie CM, Ghinet A, Farce A, Dubois J, Rigo B, Bîcu E.. (2013) Synthesis and biological evaluation of a new series of N-ylides as protein farnesyltransferase inhibitors., 23 (21): [PMID:24054122] [10.1016/j.bmcl.2013.08.088] |
Source
Source(1):