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Compound Detail

CHEMBL5752456

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CCn1cc(-c2ccnc(Nc3ccc4c(c3)CNCC4)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5752456
Phase Preclinical
Structure Type MOL
InChI Key SGFPBYNKEPZWCO-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
3.81
ALogP
7
HBA
2
HBD
80.5
PSA (Ų)
0.53
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7
MW 397.49
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.46

Activity Summary

IC50 2 meas. best 8.03

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 8.03 7.89 9.4 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine