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Compound Detail

CHEMBL197939

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CN1C(=O)C(Cc2c[nH]c3c(Cl)cccc23)N(C)C1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL197939
Phase Preclinical
Structure Type MOL
InChI Key OOENOUVKCDIOJN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

291.7
MW (Da)
2.26
ALogP
2
HBA
1
HBD
56.4
PSA (Ų)
0.86
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 C14H14ClN3O2
MW 291.74
Aromatic Rings 2
Heavy Atoms 20
NP-Likeness -0.15

Literature References

PubMed DOI Target Context # Activities
16153840 10.1016/j.bmcl.2005.07.077 Jurkat 1

Data from ChEMBL 36 via Core Engine