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ID: ALA3191759
Max Phase: Preclinical
Molecular Formula: C18H15NO3
Molecular Weight: 293.32
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1ccc(/N=C/c2c(O)oc3ccccc3c2=O)c(C)c1
Standard InChI: InChI=1S/C18H15NO3/c1-11-7-8-15(12(2)9-11)19-10-14-17(20)13-5-3-4-6-16(13)22-18(14)21/h3-10,21H,1-2H3/b19-10+
Standard InChI Key: XCHBUUUGQLZPCM-VXLYETTFSA-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: 293.32 | Molecular Weight (Monoisotopic): 293.1052 | AlogP: 3.87 | #Rotatable Bonds: 2 |
| Polar Surface Area: 62.80 | Molecular Species: ACID | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 5.66 | CX Basic pKa: | CX LogP: 4.42 | CX LogD: 2.68 |
| Aromatic Rings: 3 | Heavy Atoms: 22 | QED Weighted: 0.73 | Np Likeness Score: -0.59 |
References
| 1. PubChem BioAssay data set, |
