| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA23889
Max Phase: Preclinical
Molecular Formula: C18H30OS
Molecular Weight: 294.50
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCC(=O)SC/C=C(\C)CC/C=C(\C)CCC=C(C)C
Standard InChI: InChI=1S/C18H30OS/c1-6-18(19)20-14-13-17(5)12-8-11-16(4)10-7-9-15(2)3/h9,11,13H,6-8,10,12,14H2,1-5H3/b16-11+,17-13+
Standard InChI Key: RUTFTWIQBKRWAC-IUBLYSDUSA-N
Associated Targets(non-human)
Isoprenylcysteine carboxyl methyltransferase 12 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: 294.50 | Molecular Weight (Monoisotopic): 294.2017 | AlogP: 6.08 | #Rotatable Bonds: 9 |
| Polar Surface Area: 17.07 | Molecular Species: | HBA: 2 | HBD: 0 |
| #RO5 Violations: 1 | HBA (Lipinski): 1 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.95 | CX LogD: 5.95 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.48 | Np Likeness Score: 1.11 |
References
| 1. Marciano D, Ben-Baruch G, Marom M, Egozi Y, Haklai R, Kloog Y.. (1995) Farnesyl derivatives of rigid carboxylic acids-inhibitors of ras-dependent cell growth., 38 (8): [PMID:7731012] [10.1021/jm00008a004] |
Source
Source(1):