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ID: ALA1716275
Max Phase: Preclinical
Molecular Formula: C15H18ClFN2O2
Molecular Weight: 312.77
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=C(Cc1c(F)cccc1Cl)NCCCN1CCCC1=O
Standard InChI: InChI=1S/C15H18ClFN2O2/c16-12-4-1-5-13(17)11(12)10-14(20)18-7-3-9-19-8-2-6-15(19)21/h1,4-5H,2-3,6-10H2,(H,18,20)
Standard InChI Key: SONAYDACSABIFR-UHFFFAOYSA-N
Associated Targets(Human)
Geminin 128009 Activities
Ataxin-2 54410 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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Associated Targets(non-human)
Eukaryotic translation initiation factor 4E 654 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
| MESH ID | MESH Heading | EFO IDs | EFO Terms | Max Phase for Indication | References |
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Mechanisms of Action
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Properties
| Molecular Weight: 312.77 | Molecular Weight (Monoisotopic): 312.1041 | AlogP: 2.15 | #Rotatable Bonds: 6 |
| Polar Surface Area: 49.41 | Molecular Species: NEUTRAL | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 1.31 | CX LogD: 1.31 |
| Aromatic Rings: 1 | Heavy Atoms: 21 | QED Weighted: 0.82 | Np Likeness Score: -2.11 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):