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Compound Detail

CHEMBL5765854

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COCCn1cc(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5765854
Phase Preclinical
Structure Type MOL
InChI Key QPQFWYLVWOUNIY-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.6
MW (Da)
3.20
ALogP
9
HBA
2
HBD
93.0
PSA (Ų)
0.42
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N8O
MW 456.55
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.71

Activity Summary

IC50 2 meas. best 7.77

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 7.77 7.585 17.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine