| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA5272786
Max Phase: Preclinical
Molecular Formula: C19H10N2O4
Molecular Weight: 330.30
Associated Items:
Representations
Canonical SMILES: COC(=O)c1cc2c(o1)-c1nccc3c1c(nc1ccccc13)C2=O
Standard InChI: InChI=1S/C19H10N2O4/c1-24-19(23)13-8-11-17(22)15-14-10(6-7-20-16(14)18(11)25-13)9-4-2-3-5-12(9)21-15/h2-8H,1H3
Standard InChI Key: GLQGTGZBHNQVDM-UHFFFAOYSA-N
Associated Targets(non-human)
Mycobacterium 258 Activities
Molecule Features
| Natural Product: No | Oral: No | Chemical Probe: No | Parenteral: No |
| Molecule Type: | 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: 330.30 | Molecular Weight (Monoisotopic): 330.0641 | AlogP: 3.37 | #Rotatable Bonds: 1 |
| Polar Surface Area: 82.29 | Molecular Species: NEUTRAL | HBA: 6 | HBD: 0 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 0 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 0.71 | CX LogP: 2.79 | CX LogD: 2.79 |
| Aromatic Rings: 4 | Heavy Atoms: 25 | QED Weighted: 0.35 | Np Likeness Score: 0.48 |
References
| 1. Mishra SK, Tripathi G, Kishore N, Singh RK, Singh A, Tiwari VK.. (2017) Drug development against tuberculosis: Impact of alkaloids., 137 [PMID:28628823] [10.1016/j.ejmech.2017.06.005] |
Source
Source(1):