| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3753336
Max Phase: Preclinical
Molecular Formula: C19H20N4O2
Molecular Weight: 336.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: c1ccc(Cc2noc(-c3ncccc3OC3CCNCC3)n2)cc1
Standard InChI: InChI=1S/C19H20N4O2/c1-2-5-14(6-3-1)13-17-22-19(25-23-17)18-16(7-4-10-21-18)24-15-8-11-20-12-9-15/h1-7,10,15,20H,8-9,11-13H2
Standard InChI Key: FJLOASPXKIVMTC-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 128 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 336.40 | Molecular Weight (Monoisotopic): 336.1586 | AlogP: 2.85 | #Rotatable Bonds: 5 |
| Polar Surface Area: 73.07 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 9.82 | CX LogP: 2.75 | CX LogD: 0.37 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.77 | Np Likeness Score: -0.77 |
References
| 1. Yu Z, Brannigan JA, Rangachari K, Heal WP, Wilkinson AJ, Holder AA, Leatherbarrow RJ, Tate EW.. (2015) Discovery of pyridyl-based inhibitors of Plasmodium falciparum N-myristoyltransferase., 6 (10): [PMID:26962430] [10.1039/c5md00242g] |
Source
Source(1):