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Compound Detail

CHEMBL4784552

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CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3cc(OC)c(OC)c(OC)c3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4784552
Phase Preclinical
Structure Type MOL
InChI Key TUFZLSGCCONOFJ-SFQUDFHCSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

541.7
MW (Da)
8.28
ALogP
6
HBA
0
HBD
66.8
PSA (Ų)
0.09
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H39NO5
MW 541.69
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -0.13

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
31623971 10.1016/j.bmc.2019.115123 Urease 2

Data from ChEMBL 36 via Core Engine