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Compound Detail

CHEMBL5220723

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Cn1cc(Cc2ccccc2OCCN2CCOCC2)c(-c2cc(Cl)nc(N)n2)n1

Basic Information

ChEMBL ID CHEMBL5220723
Phase Preclinical
Structure Type MOL
InChI Key LSPFWDKIFNVOIF-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

428.9
MW (Da)
2.41
ALogP
8
HBA
1
HBD
91.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H25ClN6O2
MW 428.92
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.52

Activity Summary

IC50 1 meas. best 7.91

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 10
CHEMBL5854
IC50 7.91 7.91 12.3 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 2

Data from ChEMBL 36 via Core Engine