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Compound Detail

CHEMBL4764277

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CC(C)[C@@H](NC(=O)c1cnc2c(=O)[nH]c(N)nc2n1)C(=O)O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4764277
Phase Preclinical
Structure Type MOL
InChI Key MHYPVWJJBIITGJ-ZCFIWIBFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

306.3
MW (Da)
-0.87
ALogP
7
HBA
4
HBD
163.9
PSA (Ų)
0.57
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H14N6O4
MW 306.28
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -0.48

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
27666634 10.1016/j.bmcl.2016.09.033 Aldo-keto reductase family 1 member B1 1

Data from ChEMBL 36 via Core Engine