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Compound Detail

CHEMBL4072050

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C/C(=N\Nc1nnc(Cl)c2ccccc12)c1ccc(O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4072050
Phase Preclinical
Structure Type MOL
InChI Key FNLWVQZHZMCKIR-VCHYOVAHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

312.8
MW (Da)
3.82
ALogP
5
HBA
2
HBD
70.4
PSA (Ų)
0.57
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H13ClN4O
MW 312.76
Aromatic Rings 3
Heavy Atoms 22
NP-Likeness -0.94

Literature References

PubMed DOI Target Context # Activities
28119201 10.1016/j.ejmech.2017.01.022 Leishmania braziliensis 2

Data from ChEMBL 36 via Core Engine