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Compound Detail

CHEMBL3192900

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Oc1ccc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1O

Basic Information

ChEMBL ID CHEMBL3192900
Phase Preclinical
Structure Type MOL
InChI Key MMEKHWLCJASBAK-XDHOZWIPSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
1.93
ALogP
9
HBA
3
HBD
110.0
PSA (Ų)
0.42
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 C18H23N7O2
MW 369.43
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.94

Activity Summary

EC50 3 meas. best 5.53

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
EC50 5.53 5.2267 2930.0 3

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine