| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5189813
Max Phase: Preclinical
Molecular Formula: C28H32FN5O4
Molecular Weight: 521.59
Associated Items:
Representations
Canonical SMILES: CCn1cc(C(=O)Nc2ccc(C(=O)NC3CCOCC3)cc2)c(=O)c2cc(F)c(N3CCNCC3)cc21
Standard InChI: InChI=1S/C28H32FN5O4/c1-2-33-17-22(26(35)21-15-23(29)25(16-24(21)33)34-11-9-30-10-12-34)28(37)32-19-5-3-18(4-6-19)27(36)31-20-7-13-38-14-8-20/h3-6,15-17,20,30H,2,7-14H2,1H3,(H,31,36)(H,32,37)
Standard InChI Key: WOGZAIZJQFYLJC-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: 521.59 | Molecular Weight (Monoisotopic): 521.2438 | AlogP: 2.73 | #Rotatable Bonds: 6 |
| Polar Surface Area: 104.70 | Molecular Species: BASE | HBA: 7 | HBD: 3 |
| #RO5 Violations: 1 | HBA (Lipinski): 9 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 1 |
| CX Acidic pKa: 12.90 | CX Basic pKa: 8.67 | CX LogP: 1.91 | CX LogD: 0.62 |
| Aromatic Rings: 3 | Heavy Atoms: 38 | QED Weighted: 0.46 | Np Likeness Score: -1.30 |
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):