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Compound Detail

CHEMBL346368

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Basic Information

ChEMBL ID CHEMBL346368
Phase Preclinical
Structure Type MOL
InChI Key VXIVSQZSERGHQP-UHFFFAOYSA-N
0
Targets
2
Activities
2
Assay Types
2
PK Parameters
5
Publications
0
Known Names

Molecular Properties

93.5
MW (Da)
-0.29
ALogP
1
HBA
1
HBD
43.1
PSA (Ų)
0.45
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C2H4ClNO
MW 93.51
Aromatic Rings 0
Heavy Atoms 5
NP-Likeness -0.56

Activity Summary

IC50 1 meas.
Ki 1 meas.

Pharmacokinetic Data

Parameter Value Units Species
T1/2 1.667 hr -
T1/2 0.04 hr -

Literature References

PubMed DOI Target Context # Activities
722732 10.1021/jm00210a010 NON-PROTEIN TARGET 2
38711345 10.1021/acs.jmedchem.3c01825 ADMET 2
2939242 10.1021/jm00155a005 Alcohol dehydrogenase 1
2939242 10.1021/jm00155a005 No relevant target 1
722732 10.1021/jm00210a010 Mus musculus 1

Data from ChEMBL 36 via Core Engine