| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3945163
Max Phase: Preclinical
Molecular Formula: C28H38N4O2S
Molecular Weight: 494.71
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(CCCC3CCN(C)CC3)cc2)c(CCc2ccccc2)nn1C
Standard InChI: InChI=1S/C28H38N4O2S/c1-22-28(27(29-32(22)3)17-14-23-8-5-4-6-9-23)30-35(33,34)26-15-12-24(13-16-26)10-7-11-25-18-20-31(2)21-19-25/h4-6,8-9,12-13,15-16,25,30H,7,10-11,14,17-21H2,1-3H3
Standard InChI Key: QPIKSBVPHZNDOT-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: 494.71 | Molecular Weight (Monoisotopic): 494.2715 | AlogP: 4.98 | #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: 3.99 | CX LogD: 3.91 |
| Aromatic Rings: 3 | Heavy Atoms: 35 | QED Weighted: 0.43 | Np Likeness Score: -0.96 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):