| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2371372
Max Phase: Preclinical
Molecular Formula: C19H36N4O6S
Molecular Weight: 448.59
Molecule Type: Protein
Associated Items:
Representations
Canonical SMILES: CC[C@H](C)[C@H](NC(=O)[C@@H](NC(=O)[C@@H](N)CS)[C@@H](C)CC)C(=O)N[C@@H](CCO)C(=O)O
Standard InChI: InChI=1S/C19H36N4O6S/c1-5-10(3)14(17(26)21-13(7-8-24)19(28)29)23-18(27)15(11(4)6-2)22-16(25)12(20)9-30/h10-15,24,30H,5-9,20H2,1-4H3,(H,21,26)(H,22,25)(H,23,27)(H,28,29)/t10-,11-,12-,13-,14-,15-/m0/s1
Standard InChI Key: AHSAGNSMVBZTEY-LZXPERKUSA-N
Associated Targets(non-human)
Protein farnesyltransferase 552 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Protein | 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: 448.59 | Molecular Weight (Monoisotopic): 448.2356 | AlogP: -0.74 | #Rotatable Bonds: 14 |
| Polar Surface Area: 170.85 | Molecular Species: ACID | HBA: 7 | HBD: 7 |
| #RO5 Violations: 1 | HBA (Lipinski): 10 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 3.78 | CX Basic pKa: 7.78 | CX LogP: -2.73 | CX LogD: -2.86 |
| Aromatic Rings: 0 | Heavy Atoms: 30 | QED Weighted: 0.17 | Np Likeness Score: 0.44 |
References
| 1. Graham SL, deSolms SJ, Giuliani EA, Kohl NE, Mosser SD, Oliff AI, Pompliano DL, Rands E, Breslin MJ, Deana AA.. (1994) Pseudopeptide inhibitors of Ras farnesyl-protein transferase., 37 (6): [PMID:8145221] [10.1021/jm00032a004] |
Source
Source(1):