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Compound Detail

CHEMBL5914490

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CCn1cc(-c2ccnc(Nc3ccc(-n4ccnc4)cc3)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5914490
Phase Preclinical
Structure Type MOL
InChI Key KEXHPBFOOKBBJT-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

408.5
MW (Da)
4.35
ALogP
8
HBA
1
HBD
86.3
PSA (Ų)
0.45
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H20N8
MW 408.47
Aromatic Rings 5
Heavy Atoms 31
NP-Likeness -2.06

Activity Summary

IC50 1 meas. best 7.87

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 7.87 7.87 13.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 13.6 nM 7.87 Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... -

Data from ChEMBL 36 via Core Engine