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Compound Detail

CHEMBL1578657

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N#Cc1c(NCCN)nc(-c2ccco2)c2c1CCCC2

Basic Information

ChEMBL ID CHEMBL1578657
Phase Preclinical
Structure Type MOL
InChI Key OHJUYZMTGRBRQX-UHFFFAOYSA-N
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

282.4
MW (Da)
2.46
ALogP
5
HBA
2
HBD
87.9
PSA (Ų)
0.90
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 C16H18N4O
MW 282.35
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.45

Activity Summary

IC50 2 meas. best 5.09
EC50 1 meas. best 4.97

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.09 4.585 8120.0 2
Probable global transcription activator SNF2L2
CHEMBL2362979
EC50 4.97 4.97 10794.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine