| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3969455
Max Phase: Preclinical
Molecular Formula: C6H3BrCl2O2S
Molecular Weight: 289.97
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: O=[SH](=O)c1c(Cl)cc(Br)cc1Cl
Standard InChI: InChI=1S/C6H3BrCl2O2S/c7-3-1-4(8)6(12(10)11)5(9)2-3/h1-2,12H
Standard InChI Key: KHOGAPQVGMBQBL-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: 289.97 | Molecular Weight (Monoisotopic): 287.8414 | AlogP: 2.73 | #Rotatable Bonds: 1 |
| Polar Surface Area: 34.14 | Molecular Species: ACID | HBA: 2 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 2 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.97 | CX Basic pKa: | CX LogP: 3.02 | CX LogD: 2.34 |
| Aromatic Rings: 1 | Heavy Atoms: 12 | QED Weighted: 0.81 | Np Likeness Score: -0.96 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):