| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5280493
Max Phase: Preclinical
Molecular Formula: C24H28N4O5S2
Molecular Weight: 516.65
Associated Items:
Representations
Canonical SMILES: CCCCCSc1ncc(C(=O)NO)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(OC)cc2)n1
Standard InChI: InChI=1S/C24H28N4O5S2/c1-3-4-8-15-34-24-25-16-21(23(29)27-30)22(26-24)28(17-18-9-6-5-7-10-18)35(31,32)20-13-11-19(33-2)12-14-20/h5-7,9-14,16,30H,3-4,8,15,17H2,1-2H3,(H,27,29)
Standard InChI Key: LJRJCAPGOKSPEA-UHFFFAOYSA-N
Associated Targets(Human)
RPMI-8226 44974 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 516.65 | Molecular Weight (Monoisotopic): 516.1501 | AlogP: 4.28 | #Rotatable Bonds: 12 |
| Polar Surface Area: 121.72 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.44 | CX Basic pKa: 3.03 | CX LogP: 4.74 | CX LogD: 4.70 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.12 | Np Likeness Score: -1.46 |
References
| 1. Liu W, Liang Y, Si X.. (2020) Hydroxamic acid hybrids as the potential anticancer agents: An Overview., 205 [PMID:32791404] [10.1016/j.ejmech.2020.112679] |
Source
Source(1):