| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA4107927
Max Phase: Preclinical
Molecular Formula: C25H33N5O2S
Molecular Weight: 467.64
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2cccc(CCN3CCN(C)CC3)c2)cc1
Standard InChI: InChI=1S/C25H33N5O2S/c1-19-25(20(2)29(4)26-19)27-33(31,32)24-10-8-22(9-11-24)23-7-5-6-21(18-23)12-13-30-16-14-28(3)15-17-30/h5-11,18,27H,12-17H2,1-4H3
Standard InChI Key: AEYDRYLRVPXMRA-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 27 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: 467.64 | Molecular Weight (Monoisotopic): 467.2355 | AlogP: 3.29 | #Rotatable Bonds: 7 |
| Polar Surface Area: 70.47 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.68 | CX Basic pKa: 8.38 | CX LogP: 1.83 | CX LogD: 1.72 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.58 | Np Likeness Score: -1.65 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):