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Compound Detail

CHEMBL4646348

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CCN(c1cc(/C=C/c2ccc(/C=C/C(=O)OC)cc2)cc(C(=O)NCc2c(C)c3c([nH]c2=O)CCCC3)c1C)C1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646348
Phase Preclinical
Structure Type MOL
InChI Key UVAZPRVZPNIFPX-JLXBFWJWSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

623.8
MW (Da)
6.16
ALogP
6
HBA
2
HBD
100.7
PSA (Ų)
0.16
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C38H45N3O5
MW 623.79
Aromatic Rings 3
Heavy Atoms 46
NP-Likeness -0.43

Literature References

PubMed DOI Target Context # Activities
31959420 10.1016/j.bmcl.2020.126957 Histone-lysine N-methyltransferase EZH2 1
31959420 10.1016/j.bmcl.2020.126957 Unchecked 1
31959420 10.1016/j.bmcl.2020.126957 SUD4 1
31959420 10.1016/j.bmcl.2020.126957 MV4-11 1

Data from ChEMBL 36 via Core Engine