ID: ALA3981368
Chembl Id: CHEMBL3981368
PubChem CID: 134156842
Max Phase: Preclinical
Molecular Formula: C9H16KNaO4
Molecular Weight: 250.31
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCC(=O)[O-].CCCCC(=O)[O-].[K+].[Na+]
Standard InChI: InChI=1S/C5H10O2.C4H8O2.K.Na/c1-2-3-4-5(6)7;1-2-3-4(5)6;;/h2-4H2,1H3,(H,6,7);2-3H2,1H3,(H,5,6);;/q;;2*+1/p-2
Standard InChI Key: LNKHNMFNCDVXIF-UHFFFAOYSA-L
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| 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 |
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| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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| Molecular Weight: 250.31 | Molecular Weight (Monoisotopic): 250.0583 | 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. (2001) Identification of modulators of GPR41 or GPR42 activity, |
Source(1):
