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Compound Detail

CHEMBL4644472

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COc1cc(-c2cnc3c(N4C[C@@H](C)O[C@@H](C)C4)snc3c2)ccc1C(=O)Nc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4644472
Phase Preclinical
Structure Type MOL
InChI Key IJNMWWLQSAESHJ-CALCHBBNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
5.23
ALogP
7
HBA
1
HBD
76.6
PSA (Ų)
0.43
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H26N4O3S
MW 474.59
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.22

Literature References

PubMed DOI Target Context # Activities
31757682 10.1016/j.bmc.2019.115188 Cyclin-G-associated kinase 1

Data from ChEMBL 36 via Core Engine