| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA5266579
Max Phase: Preclinical
Molecular Formula: C11H18N6O3
Molecular Weight: 282.30
Associated Items:
Representations
Canonical SMILES: Nc1ccnc(NC(=O)[C@@H](N)CCCCC(=O)NO)n1
Standard InChI: InChI=1S/C11H18N6O3/c12-7(3-1-2-4-9(18)17-20)10(19)16-11-14-6-5-8(13)15-11/h5-7,20H,1-4,12H2,(H,17,18)(H3,13,14,15,16,19)/t7-/m0/s1
Standard InChI Key: KCRLHBZJKVKRTN-ZETCQYMHSA-N
Associated Targets(Human)
Jurkat E6.1 134 Activities
Histone deacetylase 8 4516 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
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Properties
| Molecular Weight: 282.30 | Molecular Weight (Monoisotopic): 282.1440 | AlogP: -0.61 | #Rotatable Bonds: 7 |
| Polar Surface Area: 156.25 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 5 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 8.90 | CX Basic pKa: 8.18 | CX LogP: -1.32 | CX LogD: -1.83 |
| Aromatic Rings: 1 | Heavy Atoms: 20 | QED Weighted: 0.25 | Np Likeness Score: -0.10 |
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):