ID: ALA3188068
Chembl Id: CHEMBL3188068
Cas Number: 19455-21-1
PubChem CID: 23668516
Max Phase: Preclinical
Molecular Formula: C5H9KO2
Molecular Weight: 140.22
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCC(=O)[O-].[K+]
Standard InChI: InChI=1S/C5H10O2.K/c1-2-3-4-5(6)7;/h2-4H2,1H3,(H,6,7);/q;+1/p-1
Standard InChI Key: OPCDHYPGIGFJGH-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: 140.22 | Molecular Weight (Monoisotopic): 140.0240 | AlogP: ┄ | #Rotatable Bonds: ┄ |
| Polar Surface Area: ┄ | Molecular Species: ┄ | HBA: ┄ | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): ┄ | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: ┄ | CX LogD: ┄ |
| Aromatic Rings: ┄ | Heavy Atoms: ┄ | QED Weighted: ┄ | Np Likeness Score: ┄ |
| 1. PubChem BioAssay data set, |
| 2. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source(2):
