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Compound Detail

CHEMBL375523

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O=C(NCc1ccncc1)C1=CCCC1C(=O)N1CCCC1

Basic Information

ChEMBL ID CHEMBL375523
Phase Preclinical
Structure Type MOL
InChI Key RLBNHAPCERXEEU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.4
MW (Da)
1.66
ALogP
3
HBA
1
HBD
62.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H21N3O2
MW 299.37
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -0.65

Activity Summary

IC50 1 meas. best 7.72

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.72 7.72 19.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 19.0 nM 7.72 Inhibition of POP in pig brain 16919454

Literature References

PubMed DOI Target Context # Activities
16919454 10.1016/j.bmcl.2006.08.029 No relevant target 2
16919454 10.1016/j.bmcl.2006.08.029 Unchecked 1

Data from ChEMBL 36 via Core Engine