| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3950436
Max Phase: Preclinical
Molecular Formula: C24H38N4O2S
Molecular Weight: 446.66
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCCC2CCN(C)CC2)cc1
Standard InChI: InChI=1S/C24H38N4O2S/c1-5-8-23-24(19(2)28(4)25-23)26-31(29,30)22-13-11-20(12-14-22)9-6-7-10-21-15-17-27(3)18-16-21/h11-14,21,26H,5-10,15-18H2,1-4H3
Standard InChI Key: OYNUBGTVBHOARA-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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Glycylpeptide N-tetradecanoyltransferase 109 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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 446.66 | Molecular Weight (Monoisotopic): 446.2715 | AlogP: 4.54 | #Rotatable Bonds: 10 |
| Polar Surface Area: 67.23 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.78 | CX Basic pKa: 9.42 | CX LogP: 3.31 | CX LogD: 3.22 |
| Aromatic Rings: 2 | Heavy Atoms: 31 | QED Weighted: 0.54 | Np Likeness Score: -1.08 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):