| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5277527
Max Phase: Preclinical
Molecular Formula: C4H3NO6
Molecular Weight: 161.07
Associated Items:
Representations
Canonical SMILES: O=C(O)C(=O)NC(=O)C(=O)O
Standard InChI: InChI=1S/C4H3NO6/c6-1(3(8)9)5-2(7)4(10)11/h(H,8,9)(H,10,11)(H,5,6,7)
Standard InChI Key: YIHINPWRGAKPRC-UHFFFAOYSA-N
Associated Targets(Human)
KDM5A Tchem Lysine-specific demethylase 5A (893 Activities)
KDM5B Tchem Lysine-specific demethylase 5B (814 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: | 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: 161.07 | Molecular Weight (Monoisotopic): 160.9960 | AlogP: -2.20 | #Rotatable Bonds: 0 |
| Polar Surface Area: 120.77 | Molecular Species: ACID | HBA: 4 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 1.70 | CX Basic pKa: | CX LogP: -1.12 | CX LogD: -8.17 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.35 | Np Likeness Score: -0.07 |
References
| 1. Yang GJ, Wu J, Miao L, Zhu MH, Zhou QJ, Lu XJ, Lu JF, Leung CH, Ma DL, Chen J.. (2021) Pharmacological inhibition of KDM5A for cancer treatment., 226 [PMID:34555614] [10.1016/j.ejmech.2021.113855] |
Source
Source(1):