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Compound Detail

CHEMBL225191

PEPEROMIN A
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COc1cc(C(c2cc(OC)c3c(c2)OCO3)[C@@H]2COC(=O)[C@H]2C)cc2c1OCO2

Basic Information

ChEMBL ID CHEMBL225191
Name PEPEROMIN A
Phase Preclinical
Structure Type MOL
InChI Key UYKJDDXZIMXQNB-SMDDNHRTSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
12
Publications
0
Known Names

Molecular Properties

414.4
MW (Da)
3.10
ALogP
8
HBA
0
HBD
81.7
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H22O8
MW 414.41
Aromatic Rings 2
Heavy Atoms 30
NP-Likeness 1.18

Activity Summary

EC50 1 meas. best 5.28

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.28 5.28 5300.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

Data from ChEMBL 36 via Core Engine