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Compound Detail

CHEMBL1807847

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CCN(CC)c1ccc(-n2nc3ccc(N)cc3n2)cc1

Basic Information

ChEMBL ID CHEMBL1807847
Phase Preclinical
Structure Type MOL
InChI Key QRSDPZISHKPRNZ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

281.4
MW (Da)
2.85
ALogP
5
HBA
1
HBD
60.0
PSA (Ų)
0.75
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 C16H19N5
MW 281.36
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.76

Activity Summary

EC50 1 meas. best 6.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
EC50 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21741236 10.1016/j.bmcl.2011.06.047 Molecular identity unknown 1

Data from ChEMBL 36 via Core Engine