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

CHEMBL4476532

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
Cc1ncc(-c2cccc(Cl)c2-c2cc3cnc(N)nc3nc2N2C[C@@H]3[C@@H](N)[C@@H]3C2)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4476532
Phase Preclinical
Structure Type MOL
InChI Key CINSALQQASTTDE-QWHZDKJVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

450.0
MW (Da)
3.75
ALogP
8
HBA
2
HBD
106.8
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H20ClN7S
MW 449.97
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.60

Literature References

PubMed DOI Target Context # Activities
31306011 10.1021/acs.jmedchem.9b00625 Escherichia coli 6
31306011 10.1021/acs.jmedchem.9b00625 Pseudomonas aeruginosa 3
31306011 10.1021/acs.jmedchem.9b00625 Biotin carboxylase 1
31306011 10.1021/acs.jmedchem.9b00625 Acinetobacter baumannii 1
31306011 10.1021/acs.jmedchem.9b00625 Klebsiella pneumoniae 1

Data from ChEMBL 36 via Core Engine