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Compound Detail

CHEMBL5403462

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COc1ccc2c(c1)[C@H](CCNC(=O)C[C@@H](C1=C(O)[C@@]3(Oc4c(Cl)c(OC)cc(OC)c4C3=O)[C@H](C)CC1=O)c1ccc(O)c(OC)c1)C(=O)N2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5403462
Phase Preclinical
Structure Type MOL
InChI Key NBOQESPYXLVXRR-QSDUQCIYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

721.2
MW (Da)
5.23
ALogP
11
HBA
4
HBD
178.9
PSA (Ų)
0.20
QED
3
Ro5 Violations
11
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C37H37ClN2O11
MW 721.16
Aromatic Rings 3
Heavy Atoms 51
NP-Likeness 0.70

Literature References

PubMed DOI Target Context # Activities
38389870 10.1039/d3md00649b ATP-dependent translocase ABCB1 1

Data from ChEMBL 36 via Core Engine