| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4456846
Max Phase: Preclinical
Molecular Formula: C26H34BrNO4S2
Molecular Weight: 568.60
Molecule Type: Unknown
Associated Items:
Representations
Canonical SMILES: CCCCCCS[C@H]1[C@@H](C(=O)O)[C@H](c2ccc(Br)cc2)N(S(=O)(=O)c2ccc(C)cc2)[C@@H]1CC
Standard InChI: InChI=1S/C26H34BrNO4S2/c1-4-6-7-8-17-33-25-22(5-2)28(34(31,32)21-15-9-18(3)10-16-21)24(23(25)26(29)30)19-11-13-20(27)14-12-19/h9-16,22-25H,4-8,17H2,1-3H3,(H,29,30)/t22-,23+,24+,25-/m1/s1
Standard InChI Key: NISFVJNQPLQVTP-WSOYEBOPSA-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: 568.60 | Molecular Weight (Monoisotopic): 567.1113 | AlogP: 6.66 | #Rotatable Bonds: 11 |
| 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: 3.52 | CX Basic pKa: | CX LogP: 7.46 | CX LogD: 4.09 |
| Aromatic Rings: 2 | Heavy Atoms: 34 | QED Weighted: 0.31 | Np Likeness Score: -0.51 |
References
| 1. (2013) Inhibitors of protein prenyltransferases, |
Source
Source(1):