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Compound Detail

CHEMBL4228271

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Clc1ncc(Cl)c(Oc2ccccc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4228271
Phase Preclinical
Structure Type MOL
InChI Key UPTRFEZXEXCWTM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

241.1
MW (Da)
3.58
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.75
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C10H6Cl2N2O
MW 241.08
Aromatic Rings 2
Heavy Atoms 15
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
29576270 10.1016/j.bmc.2018.03.024 Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 1

Data from ChEMBL 36 via Core Engine