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Compound Detail

CHEMBL4777883

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CCCCCCCCn1c2ccc(C(C)=O)cc2c2cc(C(=O)/C=C/c3ccc(N(C)C)cc3)ccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4777883
Phase Preclinical
Structure Type MOL
InChI Key KAXRJQOMBMBSPV-DEDYPNTBSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

494.7
MW (Da)
8.32
ALogP
4
HBA
0
HBD
42.3
PSA (Ų)
0.11
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H38N2O2
MW 494.68
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -0.46

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