| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5172735
Max Phase: Preclinical
Molecular Formula: C26H27FN4O2
Molecular Weight: 446.53
Associated Items:
Representations
Canonical SMILES: C#CCNC(=O)c1cn(CC)c2cc(N3CCN(Cc4ccccc4)CC3)c(F)cc2c1=O
Standard InChI: InChI=1S/C26H27FN4O2/c1-3-10-28-26(33)21-18-30(4-2)23-16-24(22(27)15-20(23)25(21)32)31-13-11-29(12-14-31)17-19-8-6-5-7-9-19/h1,5-9,15-16,18H,4,10-14,17H2,2H3,(H,28,33)
Standard InChI Key: FUULEYWMIJVBSE-UHFFFAOYSA-N
Associated Targets(Human)
microRNA 21 64692 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 446.53 | Molecular Weight (Monoisotopic): 446.2118 | AlogP: 2.85 | #Rotatable Bonds: 6 |
| Polar Surface Area: 57.58 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.44 | CX Basic pKa: 6.60 | CX LogP: 3.20 | CX LogD: 3.13 |
| Aromatic Rings: 3 | Heavy Atoms: 33 | QED Weighted: 0.59 | Np Likeness Score: -1.68 |
References
| 1. Xi XX, Hei YY, Guo Y, Zhao HY, Xin M, Lu S, Jiang C, Zhang SQ.. (2022) Identification of benzamides derivatives of norfloxacin as promising microRNA-21 inhibitors via repressing its transcription., 66 [PMID:35561631] [10.1016/j.bmc.2022.116803] |
Source
Source(1):