| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA112585
Max Phase: Preclinical
Molecular Formula: C15H27NO8
Molecular Weight: 349.38
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: COC(=O)CCCCCOC1OC(CO)C(O)C(O)C1NC(C)=O
Standard InChI: InChI=1S/C15H27NO8/c1-9(18)16-12-14(21)13(20)10(8-17)24-15(12)23-7-5-3-4-6-11(19)22-2/h10,12-15,17,20-21H,3-8H2,1-2H3,(H,16,18)
Standard InChI Key: FTAOVWMTDWMRQN-UHFFFAOYSA-N
Associated Targets(non-human)
Beta-1,4-galactosyltransferase 1 61 Activities
N-acetyllactosaminide alpha-1,3-galactosyltransferase 11 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: 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: 349.38 | Molecular Weight (Monoisotopic): 349.1737 | AlogP: -1.32 | #Rotatable Bonds: 9 |
| Polar Surface Area: 134.55 | Molecular Species: NEUTRAL | HBA: 8 | HBD: 4 |
| #RO5 Violations: 0 | HBA (Lipinski): 9 | HBD (Lipinski): 4 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.27 | CX Basic pKa: | CX LogP: -1.54 | CX LogD: -1.54 |
| Aromatic Rings: 0 | Heavy Atoms: 24 | QED Weighted: 0.30 | Np Likeness Score: 1.30 |
References
| 1. Chung SJ, Takayama S, Wong CH.. (1998) Acceptor substrate-based selective inhibition of galactosyltransferases., 8 (23): [PMID:9873734] [10.1016/s0960-894x(98)00618-0] |
Source
Source(1):