| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5177532
Max Phase: Preclinical
Molecular Formula: C28H34FN5O2
Molecular Weight: 491.61
Associated Items:
Representations
Canonical SMILES: CCn1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)c(=O)c2cc(F)c(N3CCNCC3)cc21
Standard InChI: InChI=1S/C28H34FN5O2/c1-2-33-19-23(27(35)22-16-24(29)26(17-25(22)33)34-14-10-30-11-15-34)28(36)31-21-8-12-32(13-9-21)18-20-6-4-3-5-7-20/h3-7,16-17,19,21,30H,2,8-15,18H2,1H3,(H,31,36)
Standard InChI Key: LNFZQPLYOHOHLB-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: 491.61 | Molecular Weight (Monoisotopic): 491.2697 | AlogP: 2.96 | #Rotatable Bonds: 6 |
| Polar Surface Area: 69.61 | Molecular Species: BASE | HBA: 6 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.74 | CX LogP: 2.61 | CX LogD: 0.72 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.56 | Np Likeness Score: -1.42 |
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):