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Compound Detail

CHEMBL1543433

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CCN(CC)N=Nc1[nH]nc2nc(C)cc(C)c12

Basic Information

ChEMBL ID CHEMBL1543433
Phase Preclinical
Structure Type MOL
InChI Key ZEEOXIOHEVEEGV-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

246.3
MW (Da)
2.92
ALogP
4
HBA
1
HBD
69.5
PSA (Ų)
0.67
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 C12H18N6
MW 246.32
Aromatic Rings 2
Heavy Atoms 18
NP-Likeness -0.89

Activity Summary

IC50 2 meas. best 4.07

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
No relevant target
CHEMBL2362975
IC50 4.07 4.07 84879.0 1
Unchecked
CHEMBL612545
IC50 4.03 4.03 92638.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine