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Compound Detail

CHEMBL5417909

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C=CC(=O)N1CCC(c2cc3c(Oc4ccc(/N=C5\CCCN5C)c(Cl)c4)ccnc3cc2OC)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5417909
Phase Preclinical
Structure Type MOL
InChI Key UWLCDHHMTQZFSG-VEWQFJOQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

519.0
MW (Da)
6.34
ALogP
5
HBA
0
HBD
67.3
PSA (Ų)
0.36
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31ClN4O3
MW 519.05
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -0.64

Literature References

PubMed DOI Target Context # Activities
37335602 10.1021/acs.jmedchem.3c00455 Huh-7 1
37335602 10.1021/acs.jmedchem.3c00455 Hep 3B2 1

Data from ChEMBL 36 via Core Engine