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Compound Detail

CHEMBL5868335

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CCn1cc(-c2ccnc(Nc3ccc4c(c3)CCN(CC(=O)O)C4)n2)c(-c2cccnc2)n1

Basic Information

ChEMBL ID CHEMBL5868335
Phase Preclinical
Structure Type MOL
InChI Key SNSFLQLSIYHYIM-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

455.5
MW (Da)
3.61
ALogP
8
HBA
2
HBD
109.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H25N7O2
MW 455.52
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.65

Activity Summary

IC50 1 meas. best 7.79

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
IC50 7.79 7.79 16.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 16.3 nM 7.79 Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... -

Data from ChEMBL 36 via Core Engine