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Compound Detail

CHEMBL4642833

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CNc1ccnc2c(O)c(-c3nc(C)n[nH]3)ncc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4642833
Phase Preclinical
Structure Type MOL
InChI Key NHZBVAUGXJYZQQ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

256.3
MW (Da)
1.47
ALogP
6
HBA
3
HBD
99.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H12N6O
MW 256.27
Aromatic Rings 3
Heavy Atoms 19
NP-Likeness -0.86

Pharmacokinetic Data

Parameter Value Units Species
CL 3.1 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