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Compound Detail

CHEMBL266347

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NCC1OC(OC2C(CO)OC(OC3C(O)C(N)CC(N)C3OC3OC(CN)C(O)C(O)C3N)C2O)C(N)C(O)C1O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL266347
Phase Preclinical
Structure Type MOL
InChI Key PGBHMTALBVVCIT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

614.6
MW (Da)
-8.90
ALogP
19
HBA
13
HBD
353.1
PSA (Ų)
0.11
QED
3
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C23H46N6O13
MW 614.65
Aromatic Rings 0
Heavy Atoms 42
NP-Likeness 1.11

Literature References

PubMed DOI Target Context # Activities
22961681 10.1124/dmd.112.047068 Bile salt export pump 1

Data from ChEMBL 36 via Core Engine