| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4115265
Max Phase: Preclinical
Molecular Formula: C28H39N5O2S
Molecular Weight: 509.72
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(-c3cccc(CN4CCC(N(C)C)C4)c3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C28H39N5O2S/c1-20(2)16-27-28(21(3)32(6)29-27)30-36(34,35)26-12-10-23(11-13-26)24-9-7-8-22(17-24)18-33-15-14-25(19-33)31(4)5/h7-13,17,20,25,30H,14-16,18-19H2,1-6H3
Standard InChI Key: OSILDNJPANZCRZ-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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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: 509.72 | Molecular Weight (Monoisotopic): 509.2824 | AlogP: 4.53 | #Rotatable Bonds: 9 |
| Polar Surface Area: 70.47 | Molecular Species: BASE | HBA: 6 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 6.68 | CX Basic pKa: 9.32 | CX LogP: 2.89 | CX LogD: 2.82 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.46 | Np Likeness Score: -1.59 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):