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

CHEMBL49731

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
C[C@@H]1C(=O)N(c2nccs2)[C@H]2CCN(C(=O)OCc3ccccc3)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL49731
Phase Preclinical
Structure Type MOL
InChI Key KVRRIYWBMBXQKV-AEGPPILISA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

357.4
MW (Da)
2.91
ALogP
5
HBA
0
HBD
62.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H19N3O3S
MW 357.44
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.87

Pharmacokinetic Data

Parameter Value Units Species
T1/2 44.0 hr Homo sapiens

Literature References

PubMed DOI Target Context # Activities
12067545 10.1016/s0960-894x(02)00294-9 ADMET 1
12067545 10.1016/s0960-894x(02)00294-9 Capsid scaffolding protein 1

Data from ChEMBL 36 via Core Engine