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Compound Detail

CHEMBL4080941

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N#Cc1ccc2nc(-c3ccccc3)c(OCCCOc3ccccc3)n2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4080941
Phase Preclinical
Structure Type MOL
InChI Key VBQIWNSRUDNGDB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

369.4
MW (Da)
4.72
ALogP
5
HBA
0
HBD
59.5
PSA (Ų)
0.44
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H19N3O2
MW 369.42
Aromatic Rings 4
Heavy Atoms 28
NP-Likeness -1.25

Literature References

PubMed DOI Target Context # Activities
28075132 10.1021/acs.jmedchem.6b01358 Unchecked 3
28075132 10.1021/acs.jmedchem.6b01358 Mycobacterium tuberculosis 1
28075132 10.1021/acs.jmedchem.6b01358 No relevant target 1

Data from ChEMBL 36 via Core Engine