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Compound Detail

CHEMBL172742

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CCOC(=O)/C(C)=C\c1ccc(Cc2cccnc2)n1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL172742
Phase Preclinical
Structure Type MOL
InChI Key KZWCOWFZMDCYRZ-VKAVYKQESA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
4.43
ALogP
4
HBA
0
HBD
44.1
PSA (Ų)
0.49
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H22N2O2
MW 346.43
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.42

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
2704033 10.1021/jm00124a027 Homo sapiens 2

Data from ChEMBL 36 via Core Engine