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Compound Detail

CHEMBL4069064

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O=c1c(NCc2ccccc2)c(-c2ccc(N3CCOCC3)cc2)c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4069064
Phase Preclinical
Structure Type MOL
InChI Key OBMWNDNQAORCEA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

348.4
MW (Da)
2.40
ALogP
5
HBA
1
HBD
58.6
PSA (Ų)
0.72
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H20N2O3
MW 348.40
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.04

Literature References

PubMed DOI Target Context # Activities
28075132 10.1021/acs.jmedchem.6b01358 Unchecked 1
28075132 10.1021/acs.jmedchem.6b01358 Mycobacterium tuberculosis 1

Data from ChEMBL 36 via Core Engine