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Compound Detail

CHEMBL3667974

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Nc1ncnn2c([C@H]3CCCNC3)cc(-c3cc(F)c(CO)c(F)c3)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3667974
Phase Preclinical
Structure Type MOL
InChI Key ZRCJEYZLDGRQCQ-JTQLQIEISA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

359.4
MW (Da)
2.22
ALogP
6
HBA
3
HBD
88.5
PSA (Ų)
0.67
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 C18H19F2N5O
MW 359.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.33

Activity Summary

IC50 1 meas. best 8.23

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
 IC50 8.23 8.23 5.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Activin receptor type-1-like IC50 = 5.9 nM 8.23 Flashplate Assay: In vitro enzyme inhibition using scintillation of incorporated... -

Data from ChEMBL 36 via Core Engine