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Compound Detail

CHEMBL4642825

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Cc1ccc(NC2=NCCN2)c2cc[nH]c12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642825
Phase Preclinical
Structure Type MOL
InChI Key BSMVKVIQVISMHM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

214.3
MW (Da)
1.85
ALogP
3
HBA
3
HBD
52.2
PSA (Ų)
0.68
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 C12H14N4
MW 214.27
Aromatic Rings 2
Heavy Atoms 16
NP-Likeness -0.44

Literature References

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

Data from ChEMBL 36 via Core Engine