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ID: ALA1493286
Max Phase: Preclinical
Molecular Formula: C17H21N3O3
Molecular Weight: 315.37
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C(=O)CN1C(=O)c2cccc(N)c2C1=O)C1CCCCC1
Standard InChI: InChI=1S/C17H21N3O3/c1-19(11-6-3-2-4-7-11)14(21)10-20-16(22)12-8-5-9-13(18)15(12)17(20)23/h5,8-9,11H,2-4,6-7,10,18H2,1H3
Standard InChI Key: UWJMNCQVJDDQBH-UHFFFAOYSA-N
Associated Targets(Human)
Histone acetyltransferase GCN5 14285 Activities
GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 21853 Activities
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Chromobox protein homolog 1 92434 Activities
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Polyadenylate-binding protein 1 2615 Activities
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Sphingomyelin phosphodiesterase 13561 Activities
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Geminin 128009 Activities
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Ataxin-2 54410 Activities
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Guanine nucleotide-binding protein G(s), subunit alpha 103405 Activities
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Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 36611 Activities
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Associated Targets(non-human)
Protein Rev 94 Activities
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Beta-lactamase AmpC 62480 Activities
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Female germline-specific tumor suppressor gld-1 77 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: 315.37 | Molecular Weight (Monoisotopic): 315.1583 | AlogP: 1.66 | #Rotatable Bonds: 3 |
| Polar Surface Area: 83.71 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.63 | CX LogP: 1.66 | CX LogD: 1.66 |
| Aromatic Rings: 1 | Heavy Atoms: 23 | QED Weighted: 0.68 | Np Likeness Score: -1.27 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):