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Compound Detail

CHEMBL3667966

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Nc1ncnn2c(CCCCO)cc(-c3ccc(CO)cc3)c12

Basic Information

ChEMBL ID CHEMBL3667966
Phase Preclinical
Structure Type MOL
InChI Key FIIDTIHWNKYVLG-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.4
MW (Da)
1.79
ALogP
6
HBA
3
HBD
96.7
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H20N4O2
MW 312.37
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness 0.08

Activity Summary

IC50 1 meas. best 9.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 9.0 9.0 1.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine