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Compound Detail

CHEMBL171101

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NC(=O)c1cn(COCc2ccccc2)c2ncnc(N)c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL171101
Phase Preclinical
Structure Type MOL
InChI Key GBERFVVWBRGOFO-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

297.3
MW (Da)
1.29
ALogP
6
HBA
2
HBD
109.0
PSA (Ų)
0.74
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 C15H15N5O2
MW 297.32
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.69

Activity Summary

IC50 1 meas. best 4.16

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
L1210
CHEMBL386
 IC50 4.16 4.16 70000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
L1210 IC50 = 70000.0 nM 4.16 Inhibitory concentration required to decrease the growth rate of L1210 cells to ... 8632411

Literature References

PubMed DOI Target Context # Activities
8632411 10.1021/jm950444j L1210 2
8632411 10.1021/jm950444j Human betaherpesvirus 5 1
8632411 10.1021/jm950444j Human alphaherpesvirus 1 1
8632411 10.1021/jm950444j HFF 1
8632411 10.1021/jm950444j KB 1

Data from ChEMBL 36 via Core Engine