| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA235587
Max Phase: Preclinical
Molecular Formula: C19H16O6
Molecular Weight: 340.33
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCc1c(C(=O)O)c(O)cc2c1C(=O)c1c(O)cccc1C2=O
Standard InChI: InChI=1S/C19H16O6/c1-2-3-5-9-14-11(8-13(21)16(9)19(24)25)17(22)10-6-4-7-12(20)15(10)18(14)23/h4,6-8,20-21H,2-3,5H2,1H3,(H,24,25)
Standard InChI Key: JEIGNBBMWSECEL-UHFFFAOYSA-N
Associated Targets(Human)
Glucose-6-phosphate translocase 25 Activities
Molecule Features
| Natural Product: Yes | 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: 340.33 | Molecular Weight (Monoisotopic): 340.0947 | AlogP: 2.91 | #Rotatable Bonds: 4 |
| Polar Surface Area: 111.90 | Molecular Species: ACID | HBA: 5 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 2.18 | CX Basic pKa: | CX LogP: 5.12 | CX LogD: 1.54 |
| Aromatic Rings: 2 | Heavy Atoms: 25 | QED Weighted: 0.67 | Np Likeness Score: 1.28 |
References
| 1. Lee TS, Das A, Khosla C.. (2007) Structure-activity relationships of semisynthetic mumbaistatin analogs., 15 (15): [PMID:17524653] [10.1016/j.bmc.2007.05.019] |
Source
Source(1):