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Compound Detail

CHEMBL1476029

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C=CCn1c(O)c(N=Nc2ccccc2O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL1476029
Phase Preclinical
Structure Type MOL
InChI Key BGWLQENWEYEDFQ-UHFFFAOYSA-N
6
Targets
9
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

293.3
MW (Da)
4.65
ALogP
5
HBA
2
HBD
70.1
PSA (Ų)
0.54
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 C17H15N3O2
MW 293.33
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.74

Activity Summary

IC50 5 meas. best 5.21
EC50 4 meas. best 6.18

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Alkaline phosphatase, germ cell type
CHEMBL3402
EC50 6.18 6.18 663.0 1
Alkaline phosphatase, tissue-nonspecific isozyme
CHEMBL5979
EC50 6.18 6.18 655.0 1
Unchecked
CHEMBL612545
IC50 5.21 4.7975 6100.0 4
Intestinal-type alkaline phosphatase
CHEMBL5573
EC50 5.06 5.06 8620.0 1
Intestinal-type alkaline phosphatase
CHEMBL3151
IC50 5.01 5.01 9810.0 1
Endoribonuclease toxin MazF
CHEMBL1795096
EC50 4.33 4.33 46300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine