| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
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ID: ALA3965395
Max Phase: Preclinical
Molecular Formula: C25H30Cl2F2N6O2S
Molecular Weight: 587.52
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(N(C(F)F)S(=O)(=O)c2c(Cl)cc(-c3ccnc(N4CCNCC4)c3)cc2Cl)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C25H30Cl2F2N6O2S/c1-15(2)11-21-23(16(3)33(4)32-21)35(25(28)29)38(36,37)24-19(26)12-18(13-20(24)27)17-5-6-31-22(14-17)34-9-7-30-8-10-34/h5-6,12-15,25,30H,7-11H2,1-4H3
Standard InChI Key: TZBWLYPEOZFCKQ-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
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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: 587.52 | Molecular Weight (Monoisotopic): 586.1496 | AlogP: 5.12 | #Rotatable Bonds: 8 |
| Polar Surface Area: 83.36 | Molecular Species: BASE | HBA: 7 | HBD: 1 |
| #RO5 Violations: 2 | HBA (Lipinski): 8 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 8.78 | CX LogP: 5.61 | CX LogD: 4.21 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.37 | Np Likeness Score: -1.33 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):