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Compound Detail

CHEMBL4649578

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Cc1n[nH]c(-c2ncc3cccnc3c2O)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4649578
Phase Preclinical
Structure Type MOL
InChI Key OTOLQROSZNQXNN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

227.2
MW (Da)
1.43
ALogP
5
HBA
2
HBD
87.6
PSA (Ų)
0.66
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 C11H9N5O
MW 227.23
Aromatic Rings 3
Heavy Atoms 17
NP-Likeness -1.07

Pharmacokinetic Data

Parameter Value Units Species
CL 3.3 mL.min-1.g-1 Mus musculus

Literature References

PubMed DOI Target Context # Activities
32663005 10.1021/acs.jmedchem.0c00705 No relevant target 2
32663005 10.1021/acs.jmedchem.0c00705 Leishmania donovani 1
32663005 10.1021/acs.jmedchem.0c00705 THP-1 1
32663005 10.1021/acs.jmedchem.0c00705 ADMET 1

Data from ChEMBL 36 via Core Engine