| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
ID: ALA1650296
Max Phase: Preclinical
Molecular Formula: C20H25ClN4O2
Molecular Weight: 388.90
Molecule Type: Small molecule
Associated Items:
Representations
Canonical SMILES: CN1C(=O)C2CC3C4Nc5ccc(Cl)cc5C(C)(C)C4CN3C2N(C)C1=O
Standard InChI: InChI=1S/C20H25ClN4O2/c1-20(2)12-7-10(21)5-6-14(12)22-16-13(20)9-25-15(16)8-11-17(25)23(3)19(27)24(4)18(11)26/h5-7,11,13,15-17,22H,8-9H2,1-4H3
Standard InChI Key: LEEFVVZQTDQNSU-UHFFFAOYSA-N
Associated Targets(non-human)
Mycoplasmoides pneumoniae 351 Activities
Metamycoplasma hominis 88 Activities
| Activity Type | Relation | Activity value | Units | Action Type | Journal | PubMed Id | doi | Assay Aladdin ID |
|---|
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: 388.90 | Molecular Weight (Monoisotopic): 388.1666 | AlogP: 2.58 | #Rotatable Bonds: 0 |
| Polar Surface Area: 55.89 | Molecular Species: NEUTRAL | HBA: 4 | HBD: 1 |
| #RO5 Violations: 0 | HBA (Lipinski): 6 | HBD (Lipinski): 1 | #RO5 Violations (Lipinski): 0 |
| CX Acidic pKa: | CX Basic pKa: 8.48 | CX LogP: 2.21 | CX LogD: 1.09 |
| Aromatic Rings: 1 | Heavy Atoms: 27 | QED Weighted: 0.74 | Np Likeness Score: 0.34 |
References
| 1. Rao SS, Raghunathan R, Ekambaram R, Raghunathan M.. (2009) In vitro activity of a new quinoline derivative, ER-2, against clinical isolates of Mycoplasma pneumoniae and Mycoplasma hominis., 53 (12): [PMID:19738013] [10.1128/aac.00746-09] |
Source
Source(1):