ID: ALA3904175
Chembl Id: CHEMBL3904175
PubChem CID: 23693930
Max Phase: Preclinical
Molecular Formula: C2Cl3KO2
Molecular Weight: 163.39
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: O=C([O-])C(Cl)(Cl)Cl.[K+]
Standard InChI: InChI=1S/C2HCl3O2.K/c3-2(4,5)1(6)7;/h(H,6,7);/q;+1/p-1
Standard InChI Key: YNLZKJXZEZFHDO-UHFFFAOYSA-M
| 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 |
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
|---|
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
| Molecular Weight: 163.39 | Molecular Weight (Monoisotopic): 161.9042 | AlogP: 1.44 | #Rotatable Bonds: ┄ |
| Polar Surface Area: 37.30 | Molecular Species: ACID | HBA: 1 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 1.72 | CX Basic pKa: ┄ | CX LogP: 1.53 | CX LogD: -2.00 |
| Aromatic Rings: ┄ | Heavy Atoms: 7 | QED Weighted: 0.55 | Np Likeness Score: -0.03 |
| 1. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source(1):
