| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA4084756
Max Phase: Preclinical
Molecular Formula: C21H19N5O
Molecular Weight: 357.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cc(C)n2nc(Nc3ccccc3)c(C(=O)Nc3ccccc3)c2n1
Standard InChI: InChI=1S/C21H19N5O/c1-14-13-15(2)26-20(22-14)18(21(27)24-17-11-7-4-8-12-17)19(25-26)23-16-9-5-3-6-10-16/h3-13H,1-2H3,(H,23,25)(H,24,27)
Standard InChI Key: OCZDFXWBMHJPPY-UHFFFAOYSA-N
Associated Targets(non-human)
Ehrlich 1318 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: 357.42 | Molecular Weight (Monoisotopic): 357.1590 | AlogP: 4.34 | #Rotatable Bonds: 4 |
| Polar Surface Area: 71.32 | Molecular Species: NEUTRAL | HBA: 5 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 13.47 | CX Basic pKa: 1.64 | CX LogP: 5.41 | CX LogD: 5.41 |
| Aromatic Rings: 4 | Heavy Atoms: 27 | QED Weighted: 0.57 | Np Likeness Score: -1.70 |
References
| 1. Cherukupalli S, Karpoormath R, Chandrasekaran B, Hampannavar GA, Thapliyal N, Palakollu VN.. (2017) An insight on synthetic and medicinal aspects of pyrazolo[1,5-a]pyrimidine scaffold., 126 [PMID:27894044] [10.1016/j.ejmech.2016.11.019] |
Source
Source(1):