| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4237587
Max Phase: Preclinical
Molecular Formula: C25H23Br2N3
Molecular Weight: 525.29
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC1CCN(c2cc(-c3ccc(Br)cc3)c3nc(-c4ccc(Br)cc4)cn3c2)CC1
Standard InChI: InChI=1S/C25H23Br2N3/c1-17-10-12-29(13-11-17)22-14-23(18-2-6-20(26)7-3-18)25-28-24(16-30(25)15-22)19-4-8-21(27)9-5-19/h2-9,14-17H,10-13H2,1H3
Standard InChI Key: LYJGPJYYRQGSMQ-UHFFFAOYSA-N
Associated Targets(Human)
LN-405 (126 Activities)
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: Small molecule | 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: 525.29 | Molecular Weight (Monoisotopic): 523.0259 | AlogP: 7.43 | #Rotatable Bonds: 3 |
| Polar Surface Area: 20.54 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 0 |
| #RO5 Violations: 2 | HBA (Lipinski): 3 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 2 |
| CX Acidic pKa: | CX Basic pKa: 6.12 | CX LogP: 7.22 | CX LogD: 7.20 |
| Aromatic Rings: 4 | Heavy Atoms: 30 | QED Weighted: 0.28 | Np Likeness Score: -0.97 |
References
| 1. Güçlü D, Kuzu B, Tozlu İ, Taşpınar F, Canpınar H, Taşpınar M, Menges N.. (2018) Synthesis of novel imidazopyridines and their biological evaluation as potent anticancer agents: A promising candidate for glioblastoma., 28 (15): [PMID:30042044] [10.1016/j.bmcl.2018.06.033] |
Source
Source(1):