| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4114130
Max Phase: Preclinical
Molecular Formula: C23H30N6O2S
Molecular Weight: 454.60
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(-c2ccnc(N3CC(C)NC(C)C3)c2)cc1
Standard InChI: InChI=1S/C23H30N6O2S/c1-15-13-29(14-16(2)25-15)22-12-20(10-11-24-22)19-6-8-21(9-7-19)32(30,31)27-23-17(3)26-28(5)18(23)4/h6-12,15-16,25,27H,13-14H2,1-5H3
Standard InChI Key: MATZARIBUNIWAK-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 |
|---|
Glycylpeptide N-tetradecanoyltransferase 27 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 454.60 | Molecular Weight (Monoisotopic): 454.2151 | AlogP: 3.09 | #Rotatable Bonds: 5 |
| Polar Surface Area: 92.15 | Molecular Species: BASE | HBA: 7 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.69 | CX Basic pKa: 8.96 | CX LogP: 1.58 | CX LogD: 1.52 |
| Aromatic Rings: 3 | Heavy Atoms: 32 | QED Weighted: 0.62 | Np Likeness Score: -1.58 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):