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

CHEMBL3127528

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
Nc1ccc([C@@H]2C[C@H]2C(=O)NCc2ccc(S(=O)(=O)c3ccccc3)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3127528
Phase Preclinical
Structure Type MOL
InChI Key RBFWRINJLNKRTB-VQTJNVASSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

407.5
MW (Da)
2.92
ALogP
5
HBA
2
HBD
102.2
PSA (Ų)
0.65
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 C22H21N3O3S
MW 407.50
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.82

Pharmacokinetic Data

Parameter Value Units Species
CL 9.0 mL.min-1.kg-1 Homo sapiens

Literature References

PubMed DOI Target Context # Activities
24405419 10.1021/jm4015108 A2780 2
24405419 10.1021/jm4015108 No relevant target 1
24405419 10.1021/jm4015108 Liver microsome 1
24405419 10.1021/jm4015108 Nicotinamide phosphoribosyltransferase 1

Data from ChEMBL 36 via Core Engine