| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA3800187
Max Phase: Preclinical
Molecular Formula: C10H11NO3
Molecular Weight: 193.20
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: Cc1cccc(C/C(=N/O)C(=O)O)c1
Standard InChI: InChI=1S/C10H11NO3/c1-7-3-2-4-8(5-7)6-9(11-14)10(12)13/h2-5,14H,6H2,1H3,(H,12,13)/b11-9-
Standard InChI Key: GQPFSZFZJBSHEM-LUAWRHEFSA-N
Associated Targets(Human)
C-terminal-binding protein 2 36 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: 193.20 | Molecular Weight (Monoisotopic): 193.0739 | AlogP: 1.45 | #Rotatable Bonds: 3 |
| Polar Surface Area: 69.89 | Molecular Species: ACID | HBA: 3 | HBD: 2 |
| #RO5 Violations: 0 | HBA (Lipinski): 4 | HBD (Lipinski): 2 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: 3.91 | CX Basic pKa: | CX LogP: 2.42 | CX LogD: -0.78 |
| Aromatic Rings: 1 | Heavy Atoms: 14 | QED Weighted: 0.43 | Np Likeness Score: 0.00 |
References
| 1. Korwar S, Morris BL, Parikh HI, Coover RA, Doughty TW, Love IM, Hilbert BJ, Royer WE, Kellogg GE, Grossman SR, Ellis KC.. (2016) Design, synthesis, and biological evaluation of substrate-competitive inhibitors of C-terminal Binding Protein (CtBP)., 24 (12): [PMID:27156192] [10.1016/j.bmc.2016.04.037] |
Source
Source(1):