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Compound Detail

CHEMBL2398293

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C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2ccc(C(=O)O)cc2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2398293
Phase Preclinical
Structure Type MOL
InChI Key GRQTWRLIEGCBGG-WSDLNYQXSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

377.4
MW (Da)
5.09
ALogP
6
HBA
2
HBD
87.7
PSA (Ų)
0.37
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H15N3O3S
MW 377.43
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.56

Literature References

PubMed DOI Target Context # Activities
23767404 10.1021/jm400556w Bcl-2-like protein 1 1

Data from ChEMBL 36 via Core Engine