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Compound Detail

CHEMBL4641968

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COc1cc(-n2cc(CCC(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)nn2)cc(OC)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4641968
Phase Preclinical
Structure Type MOL
InChI Key NKBKNTSLVRDILR-NZHOWRGHSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

466.5
MW (Da)
-1.19
ALogP
11
HBA
5
HBD
168.4
PSA (Ų)
0.30
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H30N4O8
MW 466.49
Aromatic Rings 2
Heavy Atoms 33
NP-Likeness -0.16

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
32008883 10.1016/j.bmc.2019.115263 Unchecked 1

Data from ChEMBL 36 via Core Engine