| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115259
Max Phase: Preclinical
Molecular Formula: C19H21N5O3S
Molecular Weight: 399.48
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(=O)c1cccc(Nc2ccc(S(=O)(=O)Nc3c(C)nn(C)c3C)cn2)c1
Standard InChI: InChI=1S/C19H21N5O3S/c1-12-19(13(2)24(4)22-12)23-28(26,27)17-8-9-18(20-11-17)21-16-7-5-6-15(10-16)14(3)25/h5-11,23H,1-4H3,(H,20,21)
Standard InChI Key: BHUFDAPMUZEKTF-UHFFFAOYSA-N
Associated Targets(non-human)
Glycylpeptide N-tetradecanoyltransferase 506 Activities
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 |
|---|
Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
|---|
Properties
| Molecular Weight: 399.48 | Molecular Weight (Monoisotopic): 399.1365 | AlogP: 3.18 | #Rotatable Bonds: 6 |
| Polar Surface Area: 105.98 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.53 | CX Basic pKa: 2.91 | CX LogP: 1.59 | CX LogD: 0.94 |
| Aromatic Rings: 3 | Heavy Atoms: 28 | QED Weighted: 0.62 | Np Likeness Score: -2.11 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):