ID: ALA44630
Chembl Id: CHEMBL44630
PubChem CID: 10654696
Max Phase: Preclinical
Molecular Formula: C10H19NO
Molecular Weight: 169.27
Molecule Type: Small molecule
Associated Items:
Canonical SMILES: CC(C)N(C=O)C1CCCCC1
Standard InChI: InChI=1S/C10H19NO/c1-9(2)11(8-12)10-6-4-3-5-7-10/h8-10H,3-7H2,1-2H3
Standard InChI Key: ZDNXEEKXUQSHTM-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 |
| 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: 169.27 | Molecular Weight (Monoisotopic): 169.1467 | AlogP: 2.19 | #Rotatable Bonds: 3 |
| 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: 1.94 | CX LogD: 1.94 |
| Aromatic Rings: ┄ | Heavy Atoms: 12 | QED Weighted: 0.59 | Np Likeness Score: -0.43 |
| 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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