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Compound Detail

CHEMBL4165694

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N=C(N)Nc1ccc(-c2ccc(Cl)cc2)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4165694
Phase Preclinical
Structure Type MOL
InChI Key OKPYNABSFLFIKQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

246.7
MW (Da)
2.71
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.56
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H11ClN4
MW 246.70
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -1.13

Literature References

PubMed DOI Target Context # Activities
29432948 10.1016/j.ejmech.2018.01.049 PBMC 5

Data from ChEMBL 36 via Core Engine