| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3898264
Max Phase: Preclinical
Molecular Formula: C24H28F2N4O2S
Molecular Weight: 474.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1ccc(-c2cccc(C3CCNCC3)c2)cc1
Standard InChI: InChI=1S/C24H28F2N4O2S/c1-16-23(17(2)29(3)28-16)30(24(25)26)33(31,32)22-9-7-18(8-10-22)20-5-4-6-21(15-20)19-11-13-27-14-12-19/h4-10,15,19,24,27H,11-14H2,1-3H3
Standard InChI Key: IXHQESXLKWPGHT-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: 474.58 | Molecular Weight (Monoisotopic): 474.1901 | AlogP: 4.59 | #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: 10.06 | CX LogP: 4.12 | CX LogD: 1.56 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.53 | Np Likeness Score: -1.11 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):