| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3935150
Max Phase: Preclinical
Molecular Formula: C23H36N4O2S
Molecular Weight: 432.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCc1nn(C)c(C)c1NS(=O)(=O)c1ccc(CCCC2CCN(C)CC2)cc1
Standard InChI: InChI=1S/C23H36N4O2S/c1-5-7-22-23(18(2)27(4)24-22)25-30(28,29)21-12-10-19(11-13-21)8-6-9-20-14-16-26(3)17-15-20/h10-13,20,25H,5-9,14-17H2,1-4H3
Standard InChI Key: XJHUAHFZFJZMEE-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: 432.63 | Molecular Weight (Monoisotopic): 432.2559 | AlogP: 4.15 | #Rotatable Bonds: 9 |
| 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: 2.86 | CX LogD: 2.78 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.65 | Np Likeness Score: -1.15 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):