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Compound Detail

CHEMBL5430196

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Cc1ncsc1-c1ccc(CNC(=O)[C@@H]2C[C@@H](O)CN2C(=O)[C@@H](NC(=O)CCCCCOc2ccc3c(-c4ccc(C(=O)O)c(C5CCCC5)c4)ncnc3c2)C(C)(C)C)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5430196
Phase Preclinical
Structure Type MOL
InChI Key MYMMAYKVQURKJF-ATBXCTFTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

861.1
MW (Da)
7.83
ALogP
10
HBA
4
HBD
183.9
PSA (Ų)
0.07
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C48H56N6O7S
MW 861.08
Aromatic Rings 5
Heavy Atoms 62
NP-Likeness -0.44

Literature References

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

Data from ChEMBL 36 via Core Engine