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Compound Detail

CHEMBL3103361

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NC(=O)c1cccc(N2CCN(C(=O)N3CCOCC3)CC2)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103361
Phase Preclinical
Structure Type MOL
InChI Key TZFPGJUIOYCKKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

318.4
MW (Da)
0.36
ALogP
4
HBA
1
HBD
79.1
PSA (Ų)
0.85
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 C16H22N4O3
MW 318.38
Aromatic Rings 1
Heavy Atoms 23
NP-Likeness -1.64

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