| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4469845
Max Phase: Preclinical
Molecular Formula: C27H35Cl2NO4S2
Molecular Weight: 572.62
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCS[C@H]1[C@@H](C(=O)O)[C@H](c2ccc(Cl)c(Cl)c2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CCC
Standard InChI: InChI=1S/C27H35Cl2NO4S2/c1-4-6-7-8-16-35-26-23(9-5-2)30(36(33,34)20-13-10-18(3)11-14-20)25(24(26)27(31)32)19-12-15-21(28)22(29)17-19/h10-15,17,23-26H,4-9,16H2,1-3H3,(H,31,32)/t23-,24+,25+,26-/m1/s1
Standard InChI Key: XDWJZZZZQMMGMZ-KEVKATSASA-N
Associated Targets(Human)
Geranylgeranyl transferase type-2 41 Activities
Associated Targets(non-human)
Protein farnesyltransferase 459 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Unknown | 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: 572.62 | Molecular Weight (Monoisotopic): 571.1385 | AlogP: 7.60 | #Rotatable Bonds: 12 |
| Polar Surface Area: 74.68 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 4.13 | CX Basic pKa: | CX LogP: 8.35 | CX LogD: 5.27 |
| Aromatic Rings: 2 | Heavy Atoms: 36 | QED Weighted: 0.27 | Np Likeness Score: -0.60 |
References
| 1. (2013) Inhibitors of protein prenyltransferases, |
Source
Source(1):