| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5276814
Max Phase: Preclinical
Molecular Formula: C23H25FN4O4S2
Molecular Weight: 504.61
Associated Items:
Representations
Canonical SMILES: CCCCCSc1ncc(C(=O)NO)c(N(Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)n1
Standard InChI: InChI=1S/C23H25FN4O4S2/c1-2-3-7-14-33-23-25-15-20(22(29)27-30)21(26-23)28(16-17-8-5-4-6-9-17)34(31,32)19-12-10-18(24)11-13-19/h4-6,8-13,15,30H,2-3,7,14,16H2,1H3,(H,27,29)
Standard InChI Key: IZMJLKSLQNVWIW-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: 504.61 | Molecular Weight (Monoisotopic): 504.1301 | AlogP: 4.41 | #Rotatable Bonds: 11 |
| Polar Surface Area: 112.49 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 1 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.44 | CX Basic pKa: 3.03 | CX LogP: 5.04 | CX LogD: 5.00 |
| Aromatic Rings: 3 | Heavy Atoms: 34 | QED Weighted: 0.13 | Np Likeness Score: -1.72 |
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):