ID: ALA46655
Chembl Id: CHEMBL46655
PubChem CID: 10535470
Max Phase: Preclinical
Molecular Formula: C11H21NO
Molecular Weight: 183.29
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CCCCCCCN(C=O)C1CC1
Standard InChI: InChI=1S/C11H21NO/c1-2-3-4-5-6-9-12(10-13)11-7-8-11/h10-11H,2-9H2,1H3
Standard InChI Key: IQBBRCDJAAZDDG-UHFFFAOYSA-N
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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 |
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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: 183.29 | Molecular Weight (Monoisotopic): 183.1623 | AlogP: 2.58 | #Rotatable Bonds: 8 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: ┄ |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): ┄ | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 2.49 | CX LogD: 2.49 |
| Aromatic Rings: ┄ | Heavy Atoms: 13 | QED Weighted: 0.42 | Np Likeness Score: -0.09 |
| 1. Schindler JF, Berst KB, Plapp BV.. (1998) Inhibition of human alcohol dehydrogenases by formamides., 41 (10): [PMID:9572895] [10.1021/jm9707380] |
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