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Compound Detail

CHEMBL332341

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O=C1CCC(/C=C/c2ccc(-n3cnc4c3CCCC4)cc2)=NN1

Basic Information

ChEMBL ID CHEMBL332341
Phase Preclinical
Structure Type MOL
InChI Key HBCGBKICSXVWQM-VMPITWQZSA-N
1
Targets
4
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

320.4
MW (Da)
3.03
ALogP
4
HBA
1
HBD
59.3
PSA (Ų)
0.94
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H20N4O
MW 320.40
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -0.89

Activity Summary

IC50 4 meas. best 6.35

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Homo sapiens
CHEMBL372
IC50 6.35 5.855 450.0 4

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
2536438 10.1021/jm00122a011 Homo sapiens 4
2536438 10.1021/jm00122a011 Canis familiaris 1
2536438 10.1021/jm00122a011 No relevant target 1

Data from ChEMBL 36 via Core Engine