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Compound Detail

CHEMBL5424004

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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5424004
Phase Preclinical
Structure Type MOL
InChI Key OXICLXLJBMPGTO-VVFHIECESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

917.2
MW (Da)
9.39
ALogP
10
HBA
4
HBD
183.9
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H64N6O7S
MW 917.19
Aromatic Rings 5
Heavy Atoms 66
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
38009718 10.1021/acs.jmedchem.3c01137 Calcium/calmodulin-dependent protein kinase kinase 2 1

Data from ChEMBL 36 via Core Engine