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SID22412344
ID: ALA1470871
Chembl Id: CHEMBL1470871
PubChem CID: 3327313
Max Phase: Preclinical
Molecular Formula: C14H21NO4
Molecular Weight: 267.32
Molecule Type: Small molecule
Associated Items:
Names and Identifiers
Canonical SMILES: O=C(O)C1C2CCC(O2)C1C(=O)NC1CCCCC1
Standard InChI: InChI=1S/C14H21NO4/c16-13(15-8-4-2-1-3-5-8)11-9-6-7-10(19-9)12(11)14(17)18/h8-12H,1-7H2,(H,15,16)(H,17,18)
Standard InChI Key: ZAWJFWINTRTJRS-UHFFFAOYSA-N
Associated Targets(Human)
Molecule Features
| 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 |
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 |
|---|
Calculated Properties
| Molecular Weight: 267.32 | Molecular Weight (Monoisotopic): 267.1471 | AlogP: 1.31 | #Rotatable Bonds: 3 |
| Polar Surface Area: 75.63 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: ┄ | HBA (Lipinski): 5 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: 4.35 | CX Basic pKa: ┄ | CX LogP: 1.03 | CX LogD: -1.90 |
| Aromatic Rings: ┄ | Heavy Atoms: 19 | QED Weighted: 0.81 | Np Likeness Score: 0.01 |
References
| 1. PubChem BioAssay data set, |
