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Compound Detail

CHEMBL1807918

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CC(C)C(=O)Nc1ccc2cn(-c3ccc(Cl)cc3)nc2c1

Basic Information

ChEMBL ID CHEMBL1807918
Phase Preclinical
Structure Type MOL
InChI Key BWGFMLVRXCIYSY-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names

Molecular Properties

313.8
MW (Da)
4.27
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H16ClN3O
MW 313.79
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.92

Activity Summary

EC50 1 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
EC50 5.76 5.76 1730.0 1

Pharmacokinetic Data

Parameter Value Units Species
T1/2 3.3 hr Homo sapiens

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
21741236 10.1016/j.bmcl.2011.06.047 Molecular identity unknown 2
21741236 10.1016/j.bmcl.2011.06.047 No relevant target 1
21741236 10.1016/j.bmcl.2011.06.047 Liver microsomes 1

Data from ChEMBL 36 via Core Engine