| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5267324
Max Phase: Preclinical
Molecular Formula: C22H18FN7
Molecular Weight: 399.43
Associated Items:
Representations
Canonical SMILES: Cc1cccc(-n2cc(-c3ccc4ncnn4c3)nc2CNc2ccccc2F)n1
Standard InChI: InChI=1S/C22H18FN7/c1-15-5-4-8-21(27-15)29-13-19(16-9-10-20-25-14-26-30(20)12-16)28-22(29)11-24-18-7-3-2-6-17(18)23/h2-10,12-14,24H,11H2,1H3
Standard InChI Key: HRRIMDMJFLDBRG-UHFFFAOYSA-N
Associated Targets(Human)
TGF-beta receptor type I 3786 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: 399.43 | Molecular Weight (Monoisotopic): 399.1608 | AlogP: 4.04 | #Rotatable Bonds: 5 |
| Polar Surface Area: 72.93 | Molecular Species: NEUTRAL | HBA: 7 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 7 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 4.33 | CX LogP: 3.88 | CX LogD: 3.88 |
| Aromatic Rings: 5 | Heavy Atoms: 30 | QED Weighted: 0.48 | Np Likeness Score: -2.07 |
References
| 1. Cheng B, Yuan WE, Su J, Liu Y, Chen J.. (2018) Recent advances in small molecule based cancer immunotherapy., 157 [PMID:30125720] [10.1016/j.ejmech.2018.08.028] |
Source
Source(1):