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ID: ALA297125
Max Phase: Preclinical
Molecular Formula: C9H15NO
Molecular Weight: 153.22
Molecule Type: Small molecule
Associated Items:
Representations
Synonyms (1): N,N-Dicyclobutyl-Formamide
Synonyms from Alternative Forms(1):
Canonical SMILES: O=CN(C1CCC1)C1CCC1
Standard InChI: InChI=1S/C9H15NO/c11-7-10(8-3-1-4-8)9-5-2-6-9/h7-9H,1-6H2
Standard InChI Key: IPYMWTCHJSYZFM-UHFFFAOYSA-N
Associated Targets(Human)
Alcohol dehydrogenase alpha chain 33 Activities
Alcohol dehydrogenase beta chain 24 Activities
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Alcohol dehydrogenase gamma chain 23 Activities
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Alcohol dehydrogenase class II 23 Activities
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Alcohol dehydrogenase class IV 23 Activities
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Associated Targets(non-human)
Alcohol dehydrogenase 205 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
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Mechanisms of Action
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Properties
| Molecular Weight: 153.22 | Molecular Weight (Monoisotopic): 153.1154 | AlogP: 1.55 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.31 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.19 | CX LogD: 1.19 |
| Aromatic Rings: 0 | Heavy Atoms: 11 | QED Weighted: 0.56 | Np Likeness Score: -0.06 |
References
| 1. Schindler JF, Berst KB, Plapp BV.. (1998) Inhibition of human alcohol dehydrogenases by formamides., 41 (10): [PMID:9572895] [10.1021/jm9707380] |
Source
Source(1):