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ID: ALA4115573
Max Phase: Preclinical
Molecular Formula: C10H8BrCl2N3O2S
Molecular Weight: 385.07
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cn1cc(NS(=O)(=O)c2c(Cl)cc(Br)cc2Cl)cn1
Standard InChI: InChI=1S/C10H8BrCl2N3O2S/c1-16-5-7(4-14-16)15-19(17,18)10-8(12)2-6(11)3-9(10)13/h2-5,15H,1H3
Standard InChI Key: IRZYOEHDUKACJG-UHFFFAOYSA-N
Associated Targets(Human)
Peptide N-myristoyltransferase 1 643 Activities
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 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: 385.07 | Molecular Weight (Monoisotopic): 382.8898 | AlogP: 3.29 | #Rotatable Bonds: 3 |
| Polar Surface Area: 63.99 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.56 | CX Basic pKa: 1.42 | CX LogP: 2.87 | CX LogD: 2.22 |
| Aromatic Rings: 2 | Heavy Atoms: 19 | QED Weighted: 0.88 | Np Likeness Score: -2.36 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):