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Compound Detail

CHEMBL5090829

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N#Cc1ccc(C(=O)n2ccc3c4c(N)nc(N)nc4ccc32)cc1

Basic Information

ChEMBL ID CHEMBL5090829
Phase Preclinical
Structure Type MOL
InChI Key GSYLCBLVHFGUSX-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

328.3
MW (Da)
2.31
ALogP
7
HBA
2
HBD
123.6
PSA (Ų)
0.55
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H12N6O
MW 328.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -1.27

Activity Summary

IC50 2 meas. best 6.13

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NOMO-1
CHEMBL2366198
IC50 6.13 6.13 736.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
39150226 10.1021/acs.jmedchem.4c01247 NOMO-1 1

Data from ChEMBL 36 via Core Engine