8-(3-thienyl)-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
AlkaPlorer ID: AK004719
Synonym: None
IUPAC Name: 8-thiophen-3-yl-3,4-dihydro-2H-pyrimido[1,2-b][1,2]benzothiazole
Structure
SMILES: C1CN=C2C3=C(C=C(C=C3)C4=CSC=C4)SN2C1
InChI: InChI=1S/C14H12N2S2/c1-5-15-14-12-3-2-10(11-4-7-17-9-11)8-13(12)18-16(14)6-1/h2-4,7-9H,1,5-6H2
InChIKey: HAIUBTMJALELNP-UHFFFAOYSA-N
Reference
Phenotyping Reveals Targets of a Pseudo‐Natural‐Product Autophagy Inhibitor
PubChem CID: 118730122
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|
Properties Information
Molecule Weight: 272.398
TPSA？: 15.6
MolLogP？: 3.888100000000003
Number of H-Donors: 0
Number of H-Acceptors: 4
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Human immunodeficiency virus | Human immunodeficiency virus | EC50 | 80.0 | nM | 10.1016/j.bmc.2015.02.015 |
| None | ADMET | Activity | nan | None | 10.1016/j.bmc.2015.02.015 |