| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267284
Max Phase: Preclinical
Molecular Formula: C7H15NO6
Molecular Weight: 209.20
Associated Items:
Representations
Canonical SMILES: NC[C@@]1(O)C(O)O[C@H](CO)[C@@H](O)[C@@H]1O
Standard InChI: InChI=1S/C7H15NO6/c8-2-7(13)5(11)4(10)3(1-9)14-6(7)12/h3-6,9-13H,1-2,8H2/t3-,4-,5+,6?,7+/m1/s1
Standard InChI Key: RVKAIIXBWPMUPD-JSHBUCSXSA-N
Associated Targets(Human)
C-type lectin domain family 4 member M 115 Activities
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: 209.20 | Molecular Weight (Monoisotopic): 209.0899 | AlogP: -3.89 | #Rotatable Bonds: 2 |
| Polar Surface Area: 136.40 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 6 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 7 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 11.03 | CX Basic pKa: 8.49 | CX LogP: -3.81 | CX LogD: -4.93 |
| Aromatic Rings: 0 | Heavy Atoms: 14 | QED Weighted: 0.27 | Np Likeness Score: 2.42 |
References
| 1. Cramer J.. (2021) Medicinal chemistry of the myeloid C-type lectin receptors Mincle, Langerin, and DC-SIGN., 12 (12.0): [PMID:35024612] [10.1039/D1MD00238D] |
Source
Source(1):