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Compound Detail

CHEMBL376208

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COC(=O)[C@@]12CC[C@]3(C)[C@@H](CC[C@@H]4[C@@]5(C)CCC(OC(C)=O)C(C)(C)[C@@H]5CC[C@]43C)C1=C(C(C)C)c1nccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL376208
Phase Preclinical
Structure Type MOL
InChI Key KLEDNNUYIDORMS-MWOSWITJSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

562.8
MW (Da)
7.31
ALogP
6
HBA
0
HBD
78.4
PSA (Ų)
0.36
QED
2
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H50N2O4
MW 562.80
Aromatic Rings 1
Heavy Atoms 41
NP-Likeness 2.52

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