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ID: ALA1459861
Max Phase: Preclinical
Molecular Formula: C16H27NO3
Molecular Weight: 281.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCN(C(=O)C2CCC(C)(C(=O)O)C2(C)C)CC1
Standard InChI: InChI=1S/C16H27NO3/c1-11-6-9-17(10-7-11)13(18)12-5-8-16(4,14(19)20)15(12,2)3/h11-12H,5-10H2,1-4H3,(H,19,20)
Standard InChI Key: FULGHXDFJCSQRU-UHFFFAOYSA-N
Associated Targets(Human)
Plectin 458 Activities
HEK293 82097 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 281.40 | Molecular Weight (Monoisotopic): 281.1991 | AlogP: 2.77 | #Rotatable Bonds: 2 |
| Polar Surface Area: 57.61 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 4.53 | CX Basic pKa: 0.49 | CX LogP: 2.59 | CX LogD: -0.20 |
| Aromatic Rings: 0 | Heavy Atoms: 20 | QED Weighted: 0.85 | Np Likeness Score: 0.17 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):