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Compound Detail

CHEMBL3667977

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CCc1nc(-c2cc(-c3ccc(CO)cc3)c3c(N)ncnn23)cs1

Basic Information

ChEMBL ID CHEMBL3667977
Phase Preclinical
Structure Type MOL
InChI Key IXKTYFOMGJJJCW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
3.16
ALogP
7
HBA
2
HBD
89.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N5OS
MW 351.44
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.99

Activity Summary

IC50 1 meas. best 7.22

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 7.22 7.22 60.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1-like IC50 = 60.0 nM 7.22 Flashplate Assay: In vitro enzyme inhibition using scintillation of incorporated... -

Data from ChEMBL 36 via Core Engine