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Compound Detail

CHEMBL4087504

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CC[C@]12C=CCN3CC[C@@]4(c5ccc(OC)cc5N(C)[C@H]4[C@@](O)(COC(=O)C(C)C)[C@@H]1OC(C)=O)[C@@H]32
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087504
Phase Preclinical
Structure Type MOL
InChI Key BPGUMMAXTNFZEO-YBMFQFDFSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
2.67
ALogP
8
HBA
1
HBD
88.5
PSA (Ų)
0.47
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H38N2O6
MW 498.62
Aromatic Rings 1
Heavy Atoms 36
NP-Likeness 1.98

Literature References

PubMed DOI Target Context # Activities
28162858 10.1016/j.bmcl.2016.09.064 MIN6 1

Data from ChEMBL 36 via Core Engine