| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3099740
Max Phase: Preclinical
Molecular Formula: C19H19N5O
Molecular Weight: 333.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN(C)/C=N/C(=O)c1c2n(c3c(-c4ccccc4)ncnc13)CCC2
Standard InChI: InChI=1S/C19H19N5O/c1-23(2)12-22-19(25)15-14-9-6-10-24(14)18-16(20-11-21-17(15)18)13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3/b22-12+
Standard InChI Key: LEJAHCBNVIYDIG-WSDLNYQXSA-N
Associated Targets(non-human)
Jensen sarcoma (11 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: 333.40 | Molecular Weight (Monoisotopic): 333.1590 | AlogP: 2.77 | #Rotatable Bonds: 3 |
| Polar Surface Area: 63.38 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 5.71 | CX LogP: 1.99 | CX LogD: 1.98 |
| Aromatic Rings: 3 | Heavy Atoms: 25 | QED Weighted: 0.55 | Np Likeness Score: -0.95 |
References
| 1. Belal A, El-Gendy Bel-D.. (2014) Pyrrolizines: Promising scaffolds for anticancer drugs., 22 (1): [PMID:24331756] [10.1016/j.bmc.2013.11.040] |
Source
Source(1):