| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2435013
Max Phase: Preclinical
Molecular Formula: C24H27N3O6
Molecular Weight: 453.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCOC(=O)/C(C#N)=C/[C-](C(=O)c1cc(OC)c(OC)c(OC)c1)[n+]1ccc(N(C)C)cc1
Standard InChI: InChI=1S/C24H27N3O6/c1-7-33-24(29)17(15-25)12-19(27-10-8-18(9-11-27)26(2)3)22(28)16-13-20(30-4)23(32-6)21(14-16)31-5/h8-14H,7H2,1-6H3/b17-12+
Standard InChI Key: FUVFSGJZFRTNGL-SFQUDFHCSA-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: 453.50 | Molecular Weight (Monoisotopic): 453.1900 | AlogP: 2.34 | #Rotatable Bonds: 10 |
| Polar Surface Area: 101.97 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: -1.40 | CX LogD: -1.40 |
| Aromatic Rings: 2 | Heavy Atoms: 33 | QED Weighted: 0.13 | Np Likeness Score: -0.38 |
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):