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Compound Detail

CHEMBL5407013

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COCCNC1NC(SC(C)C(N)=O)=Nc2c1cnn2-c1cccc(Cl)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5407013
Phase Preclinical
Structure Type MOL
InChI Key REWCRQRVIJMWKJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

408.9
MW (Da)
1.96
ALogP
8
HBA
3
HBD
106.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21ClN6O2S
MW 408.92
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.54

Literature References

PubMed DOI Target Context # Activities
36645394 10.1021/acs.jmedchem.2c01606 Death-associated protein kinase 3 1

Data from ChEMBL 36 via Core Engine