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Compound Detail

CHEMBL4063721

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Cc1cccc(Nc2nc3ccccc3c3[nH]nc(N)c23)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4063721
Phase Preclinical
Structure Type MOL
InChI Key XOIKPPUORIHXBH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

289.3
MW (Da)
3.75
ALogP
4
HBA
3
HBD
79.6
PSA (Ų)
0.52
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 C17H15N5
MW 289.34
Aromatic Rings 4
Heavy Atoms 22
NP-Likeness -1.29

Literature References

PubMed DOI Target Context # Activities
29120626 10.1021/acs.jmedchem.7b00963 Unchecked 2
29120626 10.1021/acs.jmedchem.7b00963 Beta-glucuronidase 1

Data from ChEMBL 36 via Core Engine