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Compound Detail

CHEMBL4645983

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c1cc(NC2=NCCN2)c2cc[nH]c2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4645983
Phase Preclinical
Structure Type MOL
InChI Key MFSMQIHVGAPSNQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

200.2
MW (Da)
1.54
ALogP
3
HBA
3
HBD
52.2
PSA (Ų)
0.65
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C11H12N4
MW 200.25
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -0.56

Literature References

PubMed DOI Target Context # Activities
32073845 10.1021/acs.jmedchem.9b01870 Complement factor B 1

Data from ChEMBL 36 via Core Engine