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Compound Detail

CHEMBL4172735

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N=C(N)Nc1ncccc1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4172735
Phase Preclinical
Structure Type MOL
InChI Key ITUMUUWKACYPDA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

212.3
MW (Da)
2.05
ALogP
2
HBA
3
HBD
74.8
PSA (Ų)
0.53
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 C12H12N4
MW 212.26
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.56

Literature References

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

Data from ChEMBL 36 via Core Engine