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Compound Detail

CHEMBL4216437

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CCCCc1cn(Cc2ccccc2)nn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4216437
Phase Preclinical
Structure Type MOL
InChI Key ZEUSJLRLKGNXLV-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

215.3
MW (Da)
2.67
ALogP
3
HBA
0
HBD
30.7
PSA (Ų)
0.77
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 C13H17N3
MW 215.30
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -1.72

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
29198863 10.1016/j.bmcl.2017.11.038 B16-F10 1
29198863 10.1016/j.bmcl.2017.11.038 P388 1
29198863 10.1016/j.bmcl.2017.11.038 HL-60 1
29198863 10.1016/j.bmcl.2017.11.038 KB 1
29198863 10.1016/j.bmcl.2017.11.038 HT-1080 1
29198863 10.1016/j.bmcl.2017.11.038 MCF7 1
29198863 10.1016/j.bmcl.2017.11.038 DLD-1 1
29198863 10.1016/j.bmcl.2017.11.038 NUGC-3 1
29198863 10.1016/j.bmcl.2017.11.038 Unchecked 1

Data from ChEMBL 36 via Core Engine