ID: ALA291214
Chembl Id: CHEMBL291214
PubChem CID: 20333386
Max Phase: Preclinical
Molecular Formula: C8H15NO
Molecular Weight: 141.21
Molecule Type: Small molecule
Associated Items:
Synonyms: N-Cyclohexylmethyl-Formamide | N-Cyclohexylmethyl-formamide|CHEMBL291214|N-cyclohexylmethylformamide|SCHEMBL303776|BDBM50064270|AKOS006359191
Canonical SMILES: O=CNCC1CCCCC1
Standard InChI: InChI=1S/C8H15NO/c10-7-9-6-8-4-2-1-3-5-8/h7-8H,1-6H2,(H,9,10)
Standard InChI Key: IOPSSIBZIWXMMU-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: 141.21 | Molecular Weight (Monoisotopic): 141.1154 | AlogP: 1.31 | #Rotatable Bonds: 3 |
| Polar Surface Area: 29.10 | Molecular Species: NEUTRAL | HBA: 1 | HBD: 1 |
| #RO5 Violations: ┄ | HBA (Lipinski): 2 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): ┄ |
| CX Acidic pKa: ┄ | CX Basic pKa: ┄ | CX LogP: 1.26 | CX LogD: 1.26 |
| Aromatic Rings: ┄ | Heavy Atoms: 10 | QED Weighted: 0.59 | Np Likeness Score: 0.01 |
| 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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