| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3937813
Max Phase: Preclinical
Molecular Formula: C22H26F2N6O2S
Molecular Weight: 476.55
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1ccc(-c2ccnc(N3CCNCC3)c2)cc1
Standard InChI: InChI=1S/C22H26F2N6O2S/c1-15-21(16(2)28(3)27-15)30(22(23)24)33(31,32)19-6-4-17(5-7-19)18-8-9-26-20(14-18)29-12-10-25-11-13-29/h4-9,14,22,25H,10-13H2,1-3H3
Standard InChI Key: RPZBHCIXTUDXGC-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: 476.55 | Molecular Weight (Monoisotopic): 476.1806 | AlogP: 2.93 | #Rotatable Bonds: 6 |
| Polar Surface Area: 83.36 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.78 | CX LogP: 2.97 | CX LogD: 1.57 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.55 | Np Likeness Score: -1.62 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):