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Compound Detail

CHEMBL3199620

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CCNc1nc(NCC)nc(N/N=C/c2ccc([N+](=O)[O-])o2)n1

Basic Information

ChEMBL ID CHEMBL3199620
Phase Preclinical
Structure Type MOL
InChI Key BCVOGWCNVWWBAK-VIZOYTHASA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

320.3
MW (Da)
1.68
ALogP
10
HBA
3
HBD
143.4
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N8O3
MW 320.31
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 6.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.0 5.945 990.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine