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Compound Detail

CHEMBL5871650

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CCn1cc(-c2ccnc(Nc3ccc(N4CCNCC4)c(C)c3)n2)c(-c2cccnc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5871650
Phase Preclinical
Structure Type MOL
InChI Key ACZPVRKWIOQLQV-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

440.6
MW (Da)
3.88
ALogP
8
HBA
2
HBD
83.8
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H28N8
MW 440.56
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.78

Activity Summary

IC50 1 meas. best 7.65

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1
CHEMBL5903
 IC50 7.65 7.65 22.3 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1 IC50 = 22.3 nM 7.65 Enzyme Inhibitory Assay: R206H: An overview of evaluation of an inhibitory effec... -

Data from ChEMBL 36 via Core Engine