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Compound Detail

CHEMBL4646137

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COc1ccccc1-c1nc(-c2nnc(C)o2)c(O)c2ncccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646137
Phase Preclinical
Structure Type MOL
InChI Key SBPAYUIGTUHMPO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
4
Publications
0
Known Names

Molecular Properties

334.3
MW (Da)
3.37
ALogP
7
HBA
1
HBD
94.2
PSA (Ų)
0.61
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H14N4O3
MW 334.34
Aromatic Rings 4
Heavy Atoms 25
NP-Likeness -0.71

Pharmacokinetic Data

Parameter Value Units Species
CL 0.5 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