| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA2262508
Max Phase: Preclinical
Molecular Formula: C24H23ClN2O3
Molecular Weight: 422.91
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1c(COc2ccc(Cl)cc2)oc2cccc(OCCNCc3cccnc3)c12
Standard InChI: InChI=1S/C24H23ClN2O3/c1-17-23(16-29-20-9-7-19(25)8-10-20)30-22-6-2-5-21(24(17)22)28-13-12-27-15-18-4-3-11-26-14-18/h2-11,14,27H,12-13,15-16H2,1H3
Standard InChI Key: WCUBFNYFOROWGC-UHFFFAOYSA-N
Associated Targets(non-human)
Peptide N-myristoyltransferase 1 193 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: 422.91 | Molecular Weight (Monoisotopic): 422.1397 | AlogP: 5.54 | #Rotatable Bonds: 9 |
| Polar Surface Area: 56.52 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 1 | HBA (Lipinski): 5 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: | CX Basic pKa: 8.47 | CX LogP: 4.72 | CX LogD: 3.61 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.36 | Np Likeness Score: -0.86 |
References
| 1. Deokar HS, Puranik P, Kulkarni VM. (2009) QSAR analysis of N-myristoyltransferase inhibitors: antifungal activity of benzofurans, 18 (3): [10.1007/s00044-008-9120-5] |
Source
Source(1):