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Compound Detail

CHEMBL2348986

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C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)C3=CC[C@]2(C)[C@H]1C(=O)CN1CCN(C)CC1

Basic Information

ChEMBL ID CHEMBL2348986
Phase Preclinical
Structure Type MOL
InChI Key MNVNWUYLECOFIN-AWPPXRKYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

424.6
MW (Da)
4.12
ALogP
4
HBA
0
HBD
40.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H40N2O2
MW 424.63
Aromatic Rings 0
Heavy Atoms 31
NP-Likeness 1.33

Literature References

PubMed DOI Target Context # Activities
23498916 10.1016/j.bmc.2013.02.009 Glucocorticoid receptor 1
23498916 10.1016/j.bmc.2013.02.009 C2C12 1
23498916 10.1016/j.bmc.2013.02.009 Unchecked 1

Data from ChEMBL 36 via Core Engine