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Compound Detail

CHEMBL1807843

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Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccnc1

Basic Information

ChEMBL ID CHEMBL1807843
Phase Preclinical
Structure Type MOL
InChI Key GIDMYMMUTHLJIQ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

363.8
MW (Da)
4.03
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.60
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 C19H14ClN5O
MW 363.81
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -2.10

Activity Summary

EC50 1 meas. best 5.51

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Molecular identity unknown
CHEMBL612546
EC50 5.51 5.51 3070.0 1

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 1

Data from ChEMBL 36 via Core Engine