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Compound Detail

CHEMBL5784805

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N#Cc1ccc(Oc2cn[nH]c2-c2ccccc2OCc2ccnnc2)cc1

Basic Information

ChEMBL ID CHEMBL5784805
Phase Preclinical
Structure Type MOL
InChI Key CIMPYWAOOJWOBP-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.11
ALogP
6
HBA
1
HBD
96.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H15N5O2
MW 369.38
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.15

Activity Summary

EC50 2 meas. best 10.96

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Cytochrome P450 11B1, mitochondrial
CHEMBL1908
EC50 10.96 10.96 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine