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3-Amino-N-phenylphthalimide
ID: ALA269410
Max Phase: Preclinical
Molecular Formula: C14H10N2O2
Molecular Weight: 238.25
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Nc1cccc2c1C(=O)N(c1ccccc1)C2=O
Standard InChI: InChI=1S/C14H10N2O2/c15-11-8-4-7-10-12(11)14(18)16(13(10)17)9-5-2-1-3-6-9/h1-8H,15H2
Standard InChI Key: IYNXMRJUAJBGGM-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: 238.25 | Molecular Weight (Monoisotopic): 238.0742 | AlogP: 2.07 | #Rotatable Bonds: 1 |
| Polar Surface Area: 63.40 | Molecular Species: NEUTRAL | HBA: 3 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 1.13 | CX LogP: 2.40 | CX LogD: 2.40 |
| Aromatic Rings: 2 | Heavy Atoms: 18 | QED Weighted: 0.61 | Np Likeness Score: -0.97 |
References
| 1. Sou S, Mayumi S, Takahashi H, Yamasaki R, Kadoya S, Sodeoka M, Hashimoto Y.. (2000) Novel alpha-glucosidase inhibitors with a tetrachlorophthalimide skeleton., 10 (10): [PMID:10843222] [10.1016/s0960-894x(00)00161-x] |
| 2. PubChem BioAssay data set, |
