| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA403263
Max Phase: Preclinical
Molecular Formula: C10H10O6
Molecular Weight: 226.18
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(O)C(O)c1cccc(C(O)C(=O)O)c1
Standard InChI: InChI=1S/C10H10O6/c11-7(9(13)14)5-2-1-3-6(4-5)8(12)10(15)16/h1-4,7-8,11-12H,(H,13,14)(H,15,16)
Standard InChI Key: YSUHBROHWRSYSF-UHFFFAOYSA-N
Associated Targets(Human)
HOGA1 Tbio Dihydrodipicolinate synthase-like, mitochondrial (14 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 226.18 | Molecular Weight (Monoisotopic): 226.0477 | AlogP: -0.08 | #Rotatable Bonds: 4 |
| Polar Surface Area: 115.06 | Molecular Species: ACID | HBA: 4 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.97 | CX Basic pKa: | CX LogP: -0.18 | CX LogD: -7.00 |
| Aromatic Rings: 1 | Heavy Atoms: 16 | QED Weighted: 0.57 | Np Likeness Score: 0.35 |
References
| 1. Boughton BA, Dobson RC, Gerrard JA, Hutton CA.. (2008) Conformationally constrained diketopimelic acid analogues as inhibitors of dihydrodipicolinate synthase., 18 (2): [PMID:18077163] [10.1016/j.bmcl.2007.11.108] |
Source
Source(1):