| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3959131
Max Phase: Preclinical
Molecular Formula: C25H32N4O2S
Molecular Weight: 452.62
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(N(C)S(=O)(=O)c2ccc(-c3ccc4c(c3)CNCC4)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C25H32N4O2S/c1-17(2)14-24-25(18(3)28(4)27-24)29(5)32(30,31)23-10-8-19(9-11-23)21-7-6-20-12-13-26-16-22(20)15-21/h6-11,15,17,26H,12-14,16H2,1-5H3
Standard InChI Key: RSFRJVKGQDTUAK-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: 452.62 | Molecular Weight (Monoisotopic): 452.2246 | AlogP: 4.06 | #Rotatable Bonds: 6 |
| 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: | CX Basic pKa: 9.13 | CX LogP: 4.12 | CX LogD: 2.40 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.61 | Np Likeness Score: -0.99 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):