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Compound Detail

CHEMBL85074

MERIBENDAN
🧪 Phase II
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🧪 Phase II
CC1CC(=O)NN=C1c1ccc2[nH]c(-c3cc[nH]n3)nc2c1

Basic Information

ChEMBL ID CHEMBL85074
Name MERIBENDAN
Phase Phase II
Structure Type MOL
InChI Key FDWDHUONLKCDBV-UHFFFAOYSA-N

Known Names

Meribendan
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
1
Known Names

Molecular Properties

294.3
MW (Da)
1.81
ALogP
4
HBA
3
HBD
98.8
PSA (Ų)
0.67
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -dan

Extended Properties

Molecular Formula C15H14N6O
MW 294.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.13

Activity Summary

EC50 2 meas.
IC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Phosphodiesterase 3
CHEMBL2094125
IC50 7.4 6.6 40.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Phosphodiesterase 3 IC50 = 40.0 nM 7.4 Inhibition of phosphodiesterase 3 -
Phosphodiesterase 3 IC50 = 1600.0 nM 5.8 Inhibition of phosphodiesterase 3 -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/S0960-894X(01)80288-2 NON-PROTEIN TARGET 2
- 10.1016/S0960-894X(01)80288-2 Phosphodiesterase 3 2

Data from ChEMBL 36 via Core Engine