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ID: ALA1363660
Max Phase: Preclinical
Molecular Formula: C20H22N4O2
Molecular Weight: 350.42
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc2c(C)c(C(=O)N3CCN(c4ncccn4)CC3)oc2c1C
Standard InChI: InChI=1S/C20H22N4O2/c1-13-5-6-16-15(3)18(26-17(16)14(13)2)19(25)23-9-11-24(12-10-23)20-21-7-4-8-22-20/h4-8H,9-12H2,1-3H3
Standard InChI Key: MOFQFMZTYKZHHR-UHFFFAOYSA-N
Associated Targets(Human)
Associated Targets(non-human)
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: 350.42 | Molecular Weight (Monoisotopic): 350.1743 | AlogP: 3.11 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.47 | 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: 3.20 | CX LogP: 3.38 | CX LogD: 3.38 |
| Aromatic Rings: 3 | Heavy Atoms: 26 | QED Weighted: 0.71 | Np Likeness Score: -1.60 |
References
| 1. PubChem BioAssay data set, |
