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Compound Detail

CHEMBL1172360

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CC(=O)c1ncccc1N1Cc2[nH]nc(NC(=O)c3ccccc3)c2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1172360
Phase Preclinical
Structure Type MOL
InChI Key JENJSDLFNZVHKG-UHFFFAOYSA-N
0
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
2.78
ALogP
5
HBA
2
HBD
91.0
PSA (Ų)
0.71
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 C19H17N5O2
MW 347.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.06

Activity Summary

IC50 2 meas.

Literature References

PubMed DOI Target Context # Activities
20621733 10.1016/j.bmcl.2010.04.083 HCT-116 1
20621733 10.1016/j.bmcl.2010.04.083 A549 1
20621733 10.1016/j.bmcl.2010.04.083 A2780 1

Data from ChEMBL 36 via Core Engine