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Compound Detail

CHEMBL3145328

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Cc1[nH]n(-c2nc3ccccc3[nH]2)c(=O)c1C1OC(=O)c2ccccc21

Basic Information

ChEMBL ID CHEMBL3145328
Phase Preclinical
Structure Type MOL
InChI Key OHRRAFUHDWTHIV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
2.61
ALogP
5
HBA
2
HBD
92.8
PSA (Ų)
0.55
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H14N4O3
MW 346.35
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -0.47

Activity Summary

Ki 2 meas. best 6.7

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
ALK tyrosine kinase receptor
CHEMBL4247
Ki 6.7 6.7 199.5 1
Cyclin-dependent kinase 19
CHEMBL6002
Ki 5.7 5.7 1995.3 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine