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Compound Detail

CHEMBL1499626

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O=C(NC1CCCCC1)N1CCN(c2ccc(Cl)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1499626
Phase Preclinical
Structure Type MOL
InChI Key DZKPHHMCRPGNLD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

321.9
MW (Da)
3.50
ALogP
2
HBA
1
HBD
35.6
PSA (Ų)
0.90
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 C17H24ClN3O
MW 321.85
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.75

Literature References

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

Data from ChEMBL 36 via Core Engine