| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3218303
Max Phase: Preclinical
Molecular Formula: C30H32O10
Molecular Weight: 552.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COc1cc(OC(=O)c2c(C)cc(O)c(C)c2O)c(C)c(C)c1C(=O)Oc1c(C)c(C)c(C(=O)O)c(OC)c1C
Standard InChI: InChI=1S/C30H32O10/c1-12-10-19(31)17(6)25(32)22(12)29(35)39-20-11-21(37-8)23(14(3)13(20)2)30(36)40-26-16(5)15(4)24(28(33)34)27(38-9)18(26)7/h10-11,31-32H,1-9H3,(H,33,34)
Standard InChI Key: GMGUUHJTCVMSIG-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: 552.58 | Molecular Weight (Monoisotopic): 552.1995 | AlogP: 5.41 | #Rotatable Bonds: 7 |
| Polar Surface Area: 148.82 | Molecular Species: ACID | HBA: 9 | HBD: 3 |
| #RO5 Violations: 2 | HBA (Lipinski): 10 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: 3.78 | CX Basic pKa: | CX LogP: 8.28 | CX LogD: 5.00 |
| Aromatic Rings: 3 | Heavy Atoms: 40 | QED Weighted: 0.26 | Np Likeness Score: 0.84 |
References
| 1. Charkoudian LK, Farrell BP, Khosla C. (2012) Natural product inhibitors of glucose-6-phosphate translocase, 3 (8): [10.1039/C2MD20008B] |
Source
Source(1):