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ID: ALA1435608
Max Phase: Preclinical
Molecular Formula: C19H22N2O
Molecular Weight: 294.40
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CC(C)(C)N/N=C1\CC(c2ccccc2)Oc2ccccc21
Standard InChI: InChI=1S/C19H22N2O/c1-19(2,3)21-20-16-13-18(14-9-5-4-6-10-14)22-17-12-8-7-11-15(16)17/h4-12,18,21H,13H2,1-3H3/b20-16+
Standard InChI Key: VHROBQTXHXDELU-CAPFRKAQSA-N
Associated Targets(non-human)
Streptokinase A 5805 Activities
Streptococcus 3973 Activities
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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 |
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Mechanisms of Action
| Mechanism of Action | Action Type | target ID | Target Name | Target Type | Target Organism | Binding Site Name | References |
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Properties
| Molecular Weight: 294.40 | Molecular Weight (Monoisotopic): 294.1732 | AlogP: 4.30 | #Rotatable Bonds: 2 |
| Polar Surface Area: 33.62 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 3 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 3.46 | CX LogP: 4.09 | CX LogD: 4.09 |
| Aromatic Rings: 2 | Heavy Atoms: 22 | QED Weighted: 0.84 | Np Likeness Score: 0.11 |
References
| 1. PubChem BioAssay data set, |
Source
Source(1):