| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5178012
Max Phase: Preclinical
Molecular Formula: C27H32FN5O3
Molecular Weight: 493.58
Associated Items:
Representations
Canonical SMILES: CCCCNC(=O)c1ccc(NC(=O)c2cn(CC)c3cc(N4CCNCC4)c(F)cc3c2=O)cc1
Standard InChI: InChI=1S/C27H32FN5O3/c1-3-5-10-30-26(35)18-6-8-19(9-7-18)31-27(36)21-17-32(4-2)23-16-24(33-13-11-29-12-14-33)22(28)15-20(23)25(21)34/h6-9,15-17,29H,3-5,10-14H2,1-2H3,(H,30,35)(H,31,36)
Standard InChI Key: OWSJANXBQKNTKI-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: 493.58 | Molecular Weight (Monoisotopic): 493.2489 | AlogP: 3.35 | #Rotatable Bonds: 8 |
| Polar Surface Area: 95.47 | Molecular Species: BASE | HBA: 6 | HBD: 3 |
| #RO5 Violations: 0 | HBA (Lipinski): 8 | HBD (Lipinski): 3 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 12.90 | CX Basic pKa: 8.67 | CX LogP: 3.28 | CX LogD: 1.98 |
| Aromatic Rings: 3 | Heavy Atoms: 36 | QED Weighted: 0.42 | Np Likeness Score: -1.40 |
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):