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Compound Detail

CHEMBL3103320

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CN1CCN(C(=O)N2CCN(c3ccc(Cl)cc3)CC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3103320
Phase Preclinical
Structure Type MOL
InChI Key VVDSJFNYHUEJCA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

322.8
MW (Da)
1.83
ALogP
3
HBA
0
HBD
30.0
PSA (Ų)
0.79
QED
0
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H23ClN4O
MW 322.84
Aromatic Rings 1
Heavy Atoms 22
NP-Likeness -1.42

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