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Compound Detail

CHEMBL5793047

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COCCn1cc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5793047
Phase Preclinical
Structure Type MOL
InChI Key WJOOLXXEYIWJMM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
3.37
ALogP
10
HBA
1
HBD
108.5
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N9O
MW 439.48
Aromatic Rings 5
Heavy Atoms 33
NP-Likeness -2.17

Activity Summary

IC50 2 meas. best 7.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 7.87 7.725 13.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine