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Compound Detail

CHEMBL5219751

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CNC(=O)c1cccc(Cc2cn(C)nc2-c2cc(Cl)nc(N)n2)c1

Basic Information

ChEMBL ID CHEMBL5219751
Phase Preclinical
Structure Type MOL
InChI Key JZMTYFZDRIYFTR-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

356.8
MW (Da)
2.06
ALogP
6
HBA
2
HBD
98.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H17ClN6O
MW 356.82
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.38

Activity Summary

IC50 1 meas. best 5.73

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 10
CHEMBL5854
IC50 5.73 5.73 1876.0 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