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Compound Detail

CHEMBL4439010

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Cc1c(C(=O)Nc2ccc3ccccc3n2)nnn1-c1ccccc1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4439010
Phase Preclinical
Structure Type MOL
InChI Key CBHUCZWAEYUEPS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

372.4
MW (Da)
2.48
ALogP
6
HBA
2
HBD
115.8
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 C20H16N6O2
MW 372.39
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.85

Literature References

PubMed DOI Target Context # Activities
30605343 10.1021/acs.jmedchem.8b01408 HEK293 1
30605343 10.1021/acs.jmedchem.8b01408 Unchecked 1

Data from ChEMBL 36 via Core Engine