| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA23489
Max Phase: Preclinical
Molecular Formula: C20H33NO3S
Molecular Weight: 367.56
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)N(C/C=C(\C)CC/C=C(\C)CCC=C(C)C)C(CS)C(=O)O
Standard InChI: InChI=1S/C20H33NO3S/c1-15(2)8-6-9-16(3)10-7-11-17(4)12-13-21(18(5)22)19(14-25)20(23)24/h8,10,12,19,25H,6-7,9,11,13-14H2,1-5H3,(H,23,24)/b16-10+,17-12+
Standard InChI Key: UBJNNPNWHORIRT-JTCWOHKRSA-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: 367.56 | Molecular Weight (Monoisotopic): 367.2181 | AlogP: 4.64 | #Rotatable Bonds: 11 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.15 | CX Basic pKa: | CX LogP: 4.19 | CX LogD: 1.13 |
| Aromatic Rings: 0 | Heavy Atoms: 25 | QED Weighted: 0.41 | Np Likeness Score: 1.00 |
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):