ID: ALA297216
Chembl Id: CHEMBL297216
Cas Number: 6281-94-3
PubChem CID: 22686
Max Phase: Preclinical
Molecular Formula: C4H9NO
Molecular Weight: 87.12
Molecule Type: Small molecule
Associated Items:
Synonyms: N-Propyl-Formamide | N-Propylformamide|Formamide, N-propyl-|N-N-Propylformamide|FORMAMIDE, N-n-PROPYL-|N-Propyl-formamide|6281-94-3|CHEMBL297216|NSC 5938|BRN 1739276|AI3-18803|NSC5938|n-C3H7NHCHO|WLN: VHM3|DTXSID10211923|SUUDTPGCUKBECW-UHFFFAOYSA-N|NSC-5938|BDBM50064275|AKOS006279604|PD119890|NS00007124
Canonical SMILES: CCCNC=O
Standard InChI: InChI=1S/C4H9NO/c1-2-3-5-4-6/h4H,2-3H2,1H3,(H,5,6)
Standard InChI Key: SUUDTPGCUKBECW-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: 87.12 | Molecular Weight (Monoisotopic): 87.0684 | AlogP: 0.14 | #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: 0.02 | CX LogD: 0.02 |
| Aromatic Rings: ┄ | Heavy Atoms: 6 | QED Weighted: 0.38 | Np Likeness Score: 0.10 |
| 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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