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Compound Detail

CHEMBL4581184

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CN1C[C@@H](Nc2nc3cc[nH]c3c(=O)n2C)C[C@@H](c2ccc3c(c2)OCCO3)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4581184
Phase Preclinical
Structure Type MOL
InChI Key PUFPGLSWMMJNSE-CABCVRRESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

395.5
MW (Da)
1.93
ALogP
7
HBA
2
HBD
84.4
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25N5O3
MW 395.46
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -0.28

Literature References

PubMed DOI Target Context # Activities
30998845 10.1021/acs.jmedchem.9b00096 MEF 49
30998845 10.1021/acs.jmedchem.9b00096 Histone acetyltransferase KAT2B 3

Data from ChEMBL 36 via Core Engine