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Compound Detail

CHEMBL3103354

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CN(C)C(=O)c1ccc(N2CCN(C(=O)N3CCOCC3)CC2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103354
Phase Preclinical
Structure Type MOL
InChI Key RDYCCSPIMMKYFR-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

346.4
MW (Da)
0.96
ALogP
4
HBA
0
HBD
56.3
PSA (Ų)
0.80
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 C18H26N4O3
MW 346.43
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -1.73

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