My Cart
You have no items in your shopping cart.
ID: ALA2164228
Chembl Id: CHEMBL2164228
PubChem CID: 57522151
Max Phase: Preclinical
Molecular Formula: C16H34ClNO5
Molecular Weight: 319.44
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCCCCCN[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1OC.Cl
Standard InChI: InChI=1S/C16H33NO5.ClH/c1-3-4-5-6-7-8-9-10-17-11-12(18)13(19)14(20)15(21)16(11)22-2;/h11-21H,3-10H2,1-2H3;1H/t11-,12-,13+,14-,15+,16+;/m0./s1
Standard InChI Key: KWGFZVCHMVQCCM-QDDAAPFESA-N
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
---|
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 |
Molecular Weight: 319.44 | Molecular Weight (Monoisotopic): 319.2359 | AlogP: 0.17 | #Rotatable Bonds: 10 |
Polar Surface Area: 102.18 | Molecular Species: BASE | HBA: 6 | HBD: 5 |
#RO5 Violations: ┄ | HBA (Lipinski): 6 | HBD (Lipinski): 5 | #RO5 Violations (Lipinski): ┄ |
CX Acidic pKa: 12.55 | CX Basic pKa: 8.53 | CX LogP: 0.73 | CX LogD: -0.43 |
Aromatic Rings: ┄ | Heavy Atoms: 22 | QED Weighted: 0.37 | Np Likeness Score: 1.06 |
1. Trapero A, González-Bulnes P, Butters TD, Llebaria A.. (2012) Potent aminocyclitol glucocerebrosidase inhibitors are subnanomolar pharmacological chaperones for treating gaucher disease., 55 (9): [PMID:22512696] [10.1021/jm300342q] |
Source(1):