| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3730806
Max Phase: Preclinical
Molecular Formula: C24H21N5O
Molecular Weight: 395.47
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)C(=O)c1ccc(-c2cnc3cnc(-c4ccc5c(ccn5C)c4)cn23)cc1
Standard InChI: InChI=1S/C24H21N5O/c1-27(2)24(30)17-6-4-16(5-7-17)22-13-26-23-14-25-20(15-29(22)23)18-8-9-21-19(12-18)10-11-28(21)3/h4-15H,1-3H3
Standard InChI Key: UBZTUEWMDPIMEV-UHFFFAOYSA-N
Associated Targets(non-human)
Beta-TC6 562 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: 395.47 | Molecular Weight (Monoisotopic): 395.1746 | AlogP: 4.26 | #Rotatable Bonds: 3 |
| Polar Surface Area: 55.43 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.12 | CX LogP: 2.76 | CX LogD: 2.76 |
| Aromatic Rings: 5 | Heavy Atoms: 30 | QED Weighted: 0.46 | Np Likeness Score: -1.33 |
References
| 1. (2014) Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5, |
Source
Source(1):