| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5173153
Max Phase: Preclinical
Molecular Formula: C29H29FN4O2
Molecular Weight: 484.58
Associated Items:
Representations
Canonical SMILES: CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(F)c(N3CCN(Cc4ccccc4)CC3)cc21
Standard InChI: InChI=1S/C29H29FN4O2/c1-2-33-20-24(29(36)31-22-11-7-4-8-12-22)28(35)23-17-25(30)27(18-26(23)33)34-15-13-32(14-16-34)19-21-9-5-3-6-10-21/h3-12,17-18,20H,2,13-16,19H2,1H3,(H,31,36)
Standard InChI Key: HSRDZLQIOAOKTA-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: 484.58 | Molecular Weight (Monoisotopic): 484.2275 | AlogP: 4.74 | #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: 13.43 | CX Basic pKa: 6.60 | CX LogP: 4.99 | CX LogD: 4.92 |
| Aromatic Rings: 4 | Heavy Atoms: 36 | QED Weighted: 0.43 | Np Likeness Score: -1.54 |
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):