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Compound Detail

CHEMBL3667979

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Nc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1

Basic Information

ChEMBL ID CHEMBL3667979
Phase Preclinical
Structure Type MOL
InChI Key AINRMAAGGGIKBD-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.18
ALogP
8
HBA
3
HBD
115.3
PSA (Ų)
0.53
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H14N6OS
MW 338.40
Aromatic Rings 4
Heavy Atoms 24
NP-Likeness -0.72

Activity Summary

IC50 1 meas. best 8.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 8.7 8.7 2.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine