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Compound Detail

CHEMBL3741900

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O=C(NC12CC3CC(O)(CC(C1)c1ccccc13)C2)N1CCCCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3741900
Phase Preclinical
Structure Type MOL
InChI Key IBXWPTCAJBWAPJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

340.5
MW (Da)
3.51
ALogP
2
HBA
2
HBD
52.6
PSA (Ų)
0.82
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 C21H28N2O2
MW 340.47
Aromatic Rings 1
Heavy Atoms 25
NP-Likeness -0.46

Literature References

PubMed DOI Target Context # Activities
26596711 10.1016/j.bmc.2015.11.004 11-beta-hydroxysteroid dehydrogenase 1 2

Data from ChEMBL 36 via Core Engine