| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2434998
Max Phase: Preclinical
Molecular Formula: C21H21N3O3
Molecular Weight: 363.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/C(C#N)=C/[C-](C(=O)c1ccccc1)[n+]1ccc(N(C)C)cc1
Standard InChI: InChI=1S/C21H21N3O3/c1-4-27-21(26)17(15-22)14-19(20(25)16-8-6-5-7-9-16)24-12-10-18(11-13-24)23(2)3/h5-14H,4H2,1-3H3/b17-14+
Standard InChI Key: YBOYCJCPUIMTJI-SAPNQHFASA-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: 363.42 | Molecular Weight (Monoisotopic): 363.1583 | AlogP: 2.32 | #Rotatable Bonds: 7 |
| Polar Surface Area: 74.28 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -0.93 | CX LogD: -0.93 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.19 | Np Likeness Score: -0.61 |
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):