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Compound Detail

CHEMBL68956

SUKSDORFIN
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CC(=O)O[C@@H]1[C@H](OC(=O)CC(C)C)c2c(ccc3ccc(=O)oc23)OC1(C)C

Basic Information

ChEMBL ID CHEMBL68956
Name SUKSDORFIN
Phase Preclinical
Structure Type MOL
InChI Key KLUTZDJBVDPOFE-WOJBJXKFSA-N
4
Targets
6
Activities
2
Assay Types
0
PK Parameters
9
Publications
0
Known Names

Molecular Properties

388.4
MW (Da)
3.53
ALogP
7
HBA
0
HBD
92.0
PSA (Ų)
0.58
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C21H24O7
MW 388.42
Aromatic Rings 2
Heavy Atoms 28
NP-Likeness 2.15

Activity Summary

EC50 4 meas. best 5.89
IC50 2 meas. best 5.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Human immunodeficiency virus 1
CHEMBL378
EC50 5.89 5.735 1300.0 2
Human immunodeficiency virus
CHEMBL613758
EC50 5.89 5.89 1300.0 1
H9
CHEMBL614806
EC50 5.89 5.89 1300.0 1
Human immunodeficiency virus 1
CHEMBL378
IC50 5.58 5.58 2600.0 1
Mus musculus
CHEMBL375
IC50 4.96 4.96 11000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
9873511 10.1016/s0960-894x(98)00391-6 Rattus norvegicus 2
7525962 10.1021/jm00049a014 Human immunodeficiency virus 1 2
- 10.1016/S0960-894X(01)80161-X H9 2
9873511 10.1016/s0960-894x(98)00391-6 Mus musculus 1
- 10.1016/S0960-894X(01)80161-X ADMET 1
14987069 10.1021/np030373o Human immunodeficiency virus 1
20187635 10.1021/np900821e Human immunodeficiency virus 1 1
20187635 10.1021/np900821e ADMET 1
28850227 10.1021/acs.jmedchem.7b00315 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine