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Compound Detail

CHEMBL3330145

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O=c1[nH]c2sccc2c(N2CCC(CO)CC2)c1-c1nc2ccccc2[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3330145
Phase Preclinical
Structure Type MOL
InChI Key VOVZKCLMZZISTN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

380.5
MW (Da)
3.34
ALogP
5
HBA
3
HBD
85.0
PSA (Ų)
0.51
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H20N4O2S
MW 380.47
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.02

Literature References

PubMed DOI Target Context # Activities
25042558 10.1016/j.bmc.2014.06.044 Serine/threonine-protein kinase Chk1 1

Data from ChEMBL 36 via Core Engine