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Compound Detail

CHEMBL3667965

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

Basic Information

ChEMBL ID CHEMBL3667965
Phase Preclinical
Structure Type MOL
InChI Key HMDYFQZLRXGRHE-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

298.4
MW (Da)
1.40
ALogP
6
HBA
3
HBD
96.7
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N4O2
MW 298.35
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness 0.05

Activity Summary

IC50 1 meas. best 8.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Activin receptor type-1-like
CHEMBL5311
IC50 8.4 8.4 4.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine