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Compound Detail

CHEMBL3667969

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Nc1ncnn2c1c(-c1cc(F)c(CO)c(F)c1)cc2[C@H]1CC[C@H](O)CC1

Basic Information

ChEMBL ID CHEMBL3667969
Phase Preclinical
Structure Type MOL
InChI Key FNCYKJHXAILKLO-UMSPYCQHSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.4
MW (Da)
2.77
ALogP
6
HBA
3
HBD
96.7
PSA (Ų)
0.66
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 C19H20F2N4O2
MW 374.39
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -0.24

Activity Summary

IC50 2 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 8.435 2.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine