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Compound Detail

CHEMBL48045

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N=C(N)c1ccccc1Oc1cccc(Oc2ccccc2C(=N)N)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL48045
Phase Preclinical
Structure Type MOL
InChI Key GFJGYFOGZBPJMD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

347.4
MW (Da)
3.23
ALogP
5
HBA
4
HBD
131.1
PSA (Ų)
0.40
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17N5O2
MW 347.38
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.41

Literature References

PubMed DOI Target Context # Activities
10346927 10.1021/jm980667k Coagulation factor X 1

Data from ChEMBL 36 via Core Engine