| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3890724
Max Phase: Preclinical
Molecular Formula: C19H24N4O3
Molecular Weight: 356.43
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CCCCCCCCn1cc(C(=O)/C=C/c2ccc([N+](=O)[O-])cc2)nn1
Standard InChI: InChI=1S/C19H24N4O3/c1-2-3-4-5-6-7-14-22-15-18(20-21-22)19(24)13-10-16-8-11-17(12-9-16)23(25)26/h8-13,15H,2-7,14H2,1H3/b13-10+
Standard InChI Key: FGRMZTDGVYGEEX-JLHYYAGUSA-N
Associated Targets(non-human)
Protein-glutamine gamma-glutamyltransferase 2 55 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: 356.43 | Molecular Weight (Monoisotopic): 356.1848 | AlogP: 4.44 | #Rotatable Bonds: 11 |
| Polar Surface Area: 90.92 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: | CX LogP: 5.37 | CX LogD: 5.37 |
| Aromatic Rings: 2 | Heavy Atoms: 26 | QED Weighted: 0.20 | Np Likeness Score: -1.20 |
References
| 1. (2015) Cinnamoyl inhibitors of transglutaminase, |
Source
Source(1):