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Compound Detail

CHEMBL255178

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CC(C)(C)OC(=O)NCCCn1cc(C2=C(c3csc4ccccc34)C(=O)NC2=O)c2ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL255178
Phase Preclinical
Structure Type MOL
InChI Key DDEAQRJFTUILFK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

501.6
MW (Da)
5.34
ALogP
6
HBA
2
HBD
89.4
PSA (Ų)
0.28
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H27N3O4S
MW 501.61
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -1.12

Literature References

PubMed DOI Target Context # Activities
18334294 10.1016/j.bmcl.2008.02.059 Calcium/calmodulin-dependent protein kinase type II subunit delta 1

Data from ChEMBL 36 via Core Engine