Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL414887

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
O=S(=O)(NCCc1ccccc1)Nc1cncc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL414887
Phase Preclinical
Structure Type MOL
InChI Key XBBPKOJBZRQTLP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

311.8
MW (Da)
2.22
ALogP
3
HBA
2
HBD
71.1
PSA (Ų)
0.86
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14ClN3O2S
MW 311.79
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -1.62

Literature References

PubMed DOI Target Context # Activities
10698450 10.1016/s0960-894x(99)00675-7 Human immunodeficiency virus type 1 reverse transcriptase 1
10698450 10.1016/s0960-894x(99)00675-7 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine