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Compound Detail

CHEMBL5753283

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O=c1cc(C2CCNCC2)n2nc3ccc(F)c(Cl)c3c2[nH]1

Basic Information

ChEMBL ID CHEMBL5753283
Phase Preclinical
Structure Type MOL
InChI Key IDSVUURBHNHJFJ-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.8
MW (Da)
2.44
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.72
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H14ClFN4O
MW 320.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -1.02

Activity Summary

IC50 2 meas. best 7.62

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.62 7.62 24.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine