| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3913730
Max Phase: Preclinical
Molecular Formula: C24H32N4O2S
Molecular Weight: 440.61
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(-c3cccc(CN(C)C)c3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C24H32N4O2S/c1-17(2)14-23-24(18(3)28(6)25-23)26-31(29,30)22-12-10-20(11-13-22)21-9-7-8-19(15-21)16-27(4)5/h7-13,15,17,26H,14,16H2,1-6H3
Standard InChI Key: XANRCBWVKKVBOO-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: 440.61 | Molecular Weight (Monoisotopic): 440.2246 | AlogP: 4.46 | #Rotatable Bonds: 8 |
| 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: 6.67 | CX Basic pKa: 9.03 | CX LogP: 2.96 | CX LogD: 2.88 |
| Aromatic Rings: 3 | Heavy Atoms: 31 | QED Weighted: 0.56 | Np Likeness Score: -1.50 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
| 2. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):