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Compound Detail

CHEMBL3103339

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O=C(Nc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103339
Phase Preclinical
Structure Type MOL
InChI Key FPIDEIVDMUBZSS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

315.8
MW (Da)
3.69
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.92
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 C17H18ClN3O
MW 315.80
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.99

Literature References

PubMed DOI Target Context # Activities
24411201 10.1016/j.bmc.2013.12.050 Aldo-keto reductase family 1 member C3 2

Data from ChEMBL 36 via Core Engine