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Compound Detail

CHEMBL119598

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CN(C)c1ncnc2c(Cc3ccccc3)ncn12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL119598
Phase Preclinical
Structure Type MOL
InChI Key MPBRCJSCYRCDOE-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

253.3
MW (Da)
1.78
ALogP
5
HBA
0
HBD
46.3
PSA (Ų)
0.71
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H15N5
MW 253.31
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.79

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
7658442 10.1021/jm00018a015 MDCK 3
7658442 10.1021/jm00018a015 HeLa 2
7658442 10.1021/jm00018a015 Vero 2
7658442 10.1021/jm00018a015 CCRF-CEM 1

Data from ChEMBL 36 via Core Engine