| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4115133
Max Phase: Preclinical
Molecular Formula: C23H36N4O2S
Molecular Weight: 432.63
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(NS(=O)(=O)c2ccc(CCCC3CCNCC3)cc2)c(CC(C)C)nn1C
Standard InChI: InChI=1S/C23H36N4O2S/c1-17(2)16-22-23(18(3)27(4)25-22)26-30(28,29)21-10-8-19(9-11-21)6-5-7-20-12-14-24-15-13-20/h8-11,17,20,24,26H,5-7,12-16H2,1-4H3
Standard InChI Key: MCEPYCPGZCPZQP-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 |
|---|
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: 432.63 | Molecular Weight (Monoisotopic): 432.2559 | AlogP: 4.05 | #Rotatable Bonds: 9 |
| Polar Surface Area: 76.02 | Molecular Species: BASE | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 6.78 | CX Basic pKa: 10.36 | CX LogP: 3.01 | CX LogD: 2.91 |
| Aromatic Rings: 2 | Heavy Atoms: 30 | QED Weighted: 0.63 | Np Likeness Score: -0.88 |
References
| 1. (2015) N-myristoyl transferase inhibitors, |
Source
Source(1):