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Compound Detail

CHEMBL4874934

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Cn1cc(Cc2ccccc2)c(-c2cc(Cl)nc(N)n2)n1

Basic Information

ChEMBL ID CHEMBL4874934
Phase Preclinical
Structure Type MOL
InChI Key WTXWEQRSCKBWII-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

299.8
MW (Da)
2.70
ALogP
5
HBA
1
HBD
69.6
PSA (Ų)
0.75
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClN5
MW 299.76
Aromatic Rings 3
Heavy Atoms 21
NP-Likeness -1.18

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Adenylate cyclase type 10
CHEMBL5854
IC50 6.0 5.995 989.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
34413957 10.1021/acsmedchemlett.1c00273 Adenylate cyclase type 10 1
36346696 10.1021/acs.jmedchem.2c01133 Adenylate cyclase type 10 1

Data from ChEMBL 36 via Core Engine