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Compound Detail

CHEMBL2007273

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Oc1ccc(/C=N/NC(=S)N/N=C/c2ccc(O)cc2)cc1

Basic Information

ChEMBL ID CHEMBL2007273
Phase Preclinical
Structure Type MOL
InChI Key UHYBPVHQQAQPBP-CZCYGEDCSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

314.4
MW (Da)
1.93
ALogP
5
HBA
4
HBD
89.2
PSA (Ų)
0.39
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14N4O2S
MW 314.37
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.82

Activity Summary

EC50 2 meas. best 6.5

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Luciferin 4-monooxygenase
CHEMBL5567
EC50 6.5 6.5 316.0 1
Unchecked
CHEMBL612545
EC50 6.5 6.5 317.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine