| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3908305
Max Phase: Preclinical
Molecular Formula: C26H38Cl2F2N4O3S
Molecular Weight: 595.58
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1N(C(F)F)S(=O)(=O)c1c(Cl)cc(CCCOC2CC(C)(C)N(C)C(C)(C)C2)cc1Cl
Standard InChI: InChI=1S/C26H38Cl2F2N4O3S/c1-16-22(17(2)32(7)31-16)34(24(29)30)38(35,36)23-20(27)12-18(13-21(23)28)10-9-11-37-19-14-25(3,4)33(8)26(5,6)15-19/h12-13,19,24H,9-11,14-15H2,1-8H3
Standard InChI Key: OTKMKBYGZQEUCC-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: 595.58 | Molecular Weight (Monoisotopic): 594.2010 | AlogP: 6.36 | #Rotatable Bonds: 9 |
| Polar Surface Area: 67.67 | Molecular Species: BASE | HBA: 6 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 10.16 | CX LogP: 5.61 | CX LogD: 2.92 |
| Aromatic Rings: 2 | Heavy Atoms: 38 | QED Weighted: 0.25 | Np Likeness Score: -0.76 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):