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Compound Detail

CHEMBL2398270

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C/C(=N\Nc1nc2ccccc2s1)c1ccc(-c2cccc(C(N)=O)c2)o1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2398270
Phase Preclinical
Structure Type MOL
InChI Key ACVQZWNIRVRPOB-FSJBWODESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

376.4
MW (Da)
4.49
ALogP
6
HBA
2
HBD
93.5
PSA (Ų)
0.40
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H16N4O2S
MW 376.44
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.89

Literature References

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

Data from ChEMBL 36 via Core Engine