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Compound Detail

CHEMBL73038

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COCCNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccc(Br)cn34)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL73038
Phase Preclinical
Structure Type MOL
InChI Key IPEFCZXLMNGAFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
3.22
ALogP
8
HBA
2
HBD
110.5
PSA (Ų)
0.36
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H19BrN6O3S
MW 503.38
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -1.97

Literature References

PubMed DOI Target Context # Activities
15081017 10.1016/j.bmcl.2004.02.015 Cyclin-dependent kinase 2 1

Data from ChEMBL 36 via Core Engine