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Compound Detail

CHEMBL373633

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CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@H]4C5[C@H]6O[C@@]5(CCC6(C)C)CC[C@]43C)[C@@]2(C)c2nccnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL373633
Phase Preclinical
Structure Type MOL
InChI Key RQXYNMOANIHFIM-ZCQQWFJFSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

460.7
MW (Da)
7.36
ALogP
3
HBA
0
HBD
35.0
PSA (Ų)
0.44
QED
1
Ro5 Violations
1
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H44N2O
MW 460.71
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness 2.70

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
17371067 10.1021/np060436d CCRF-CEM 1

Data from ChEMBL 36 via Core Engine