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Compound Detail

CHEMBL148863

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C=C(C)[C@H]1Cc2c(ccc(Cn3c(C)nc4ccccc43)c2OC)O1

Basic Information

ChEMBL ID CHEMBL148863
Phase Preclinical
Structure Type MOL
InChI Key FUDAZEJEMXXYFE-HXUWFJFHSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

334.4
MW (Da)
4.28
ALogP
4
HBA
0
HBD
36.3
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H22N2O2
MW 334.42
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.03

Activity Summary

IC50 1 meas. best 6.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.82 6.82 151.4 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Unchecked IC50 = 151.36 nM 6.82 Tested for the ability to block NADH dehydrogenase in a preparation of submitoch... -

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(94)80026-X Unchecked 1

Data from ChEMBL 36 via Core Engine