ID: ALA47168
Chembl Id: CHEMBL47168
PubChem CID: 10535407
Max Phase: Preclinical
Molecular Formula: C11H19NO
Molecular Weight: 181.28
Molecule Type: Small molecule
Associated Items:
Synonyms: N,N-Dicyclopentyl-Formamide | N,N-Dicyclopentyl-formamide|CHEMBL47168|SCHEMBL3160136|BDBM50064281
Canonical SMILES: O=CN(C1CCCC1)C1CCCC1
Standard InChI: InChI=1S/C11H19NO/c13-9-12(10-5-1-2-6-10)11-7-3-4-8-11/h9-11H,1-8H2
Standard InChI Key: POFVZZUUHSLXHI-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: 181.28 | Molecular Weight (Monoisotopic): 181.1467 | AlogP: 2.33 | #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: 2.08 | CX LogD: 2.08 |
| Aromatic Rings: ┄ | Heavy Atoms: 13 | QED Weighted: 0.61 | 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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