| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3901961
Max Phase: Preclinical
Molecular Formula: C25H40N4O2S
Molecular Weight: 460.69
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)c1nn(C)c(C(C)C)c1NS(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1
Standard InChI: InChI=1S/C25H40N4O2S/c1-18(2)23-24(25(19(3)4)29(6)26-23)27-32(30,31)22-12-10-20(11-13-22)8-7-9-21-14-16-28(5)17-15-21/h10-13,18-19,21,27H,7-9,14-17H2,1-6H3
Standard InChI Key: UZODOWRCBAMZPB-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: 460.69 | Molecular Weight (Monoisotopic): 460.2872 | AlogP: 5.13 | #Rotatable Bonds: 9 |
| Polar Surface Area: 67.23 | Molecular Species: BASE | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.74 | CX Basic pKa: 9.42 | CX LogP: 3.85 | CX LogD: 3.77 |
| Aromatic Rings: 2 | Heavy Atoms: 32 | QED Weighted: 0.56 | Np Likeness Score: -0.96 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):