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Compound Detail

CHEMBL5220075

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COc1ccccc1Cc1cn(C)nc1-c1cc(Cl)nc(N)n1

Basic Information

ChEMBL ID CHEMBL5220075
Phase Preclinical
Structure Type MOL
InChI Key DICNOSVBYCAGKS-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

329.8
MW (Da)
2.71
ALogP
6
HBA
1
HBD
78.8
PSA (Ų)
0.74
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H16ClN5O
MW 329.79
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.16

Activity Summary

IC50 1 meas. best 7.17

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 10
CHEMBL5854
IC50 7.17 7.17 67.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36346696 10.1021/acs.jmedchem.2c01133 Adenylate cyclase type 10 1

Data from ChEMBL 36 via Core Engine