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Compound Detail

CHEMBL3667991

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COc1cc(-c2cc(C3CCCNC3)n3ncnc(N)c23)cc(F)c1CO

Basic Information

ChEMBL ID CHEMBL3667991
Phase Preclinical
Structure Type MOL
InChI Key DXSHKFJMROBTDG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

371.4
MW (Da)
2.09
ALogP
7
HBA
3
HBD
97.7
PSA (Ų)
0.65
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 C19H22FN5O2
MW 371.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.25

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