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Compound Detail

CHEMBL298731

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CN(C)CCNc1cc(-c2ccc3ccc4ccccc4c3c2)nc2ccccc12

Basic Information

ChEMBL ID CHEMBL298731
Phase Preclinical
Structure Type MOL
InChI Key WDOPJVWMSCBLNM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

391.5
MW (Da)
6.18
ALogP
3
HBA
1
HBD
28.2
PSA (Ų)
0.36
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H25N3
MW 391.52
Aromatic Rings 5
Heavy Atoms 30
NP-Likeness -0.83

Activity Summary

EC50 1 meas. best 7.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 7.96 7.96 11.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 11.0 nM 7.96 Concentration required for half-maximal inhibition of CpG-ODN effect on thymidin... 10406648

Literature References

PubMed DOI Target Context # Activities
10406648 10.1016/s0960-894x(99)00291-7 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine