| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2435011
Max Phase: Preclinical
Molecular Formula: C19H15N5O3
Molecular Weight: 361.36
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)c1cc[n+]([C-](C=C(C#N)C#N)C(=O)c2ccc([N+](=O)[O-])cc2)cc1
Standard InChI: InChI=1S/C19H15N5O3/c1-22(2)16-7-9-23(10-8-16)18(11-14(12-20)13-21)19(25)15-3-5-17(6-4-15)24(26)27/h3-11H,1-2H3
Standard InChI Key: ZAFBVNGLXFNXBB-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: 361.36 | Molecular Weight (Monoisotopic): 361.1175 | AlogP: 2.18 | #Rotatable Bonds: 6 |
| Polar Surface Area: 114.91 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.58 | CX Basic pKa: | CX LogP: -1.50 | CX LogD: -1.50 |
| Aromatic Rings: 2 | Heavy Atoms: 27 | QED Weighted: 0.19 | Np Likeness Score: -0.95 |
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):