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Compound Detail

CHEMBL1500987

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COC(=O)C1=C(C)N(Cc2ccco2)C(=O)/C1=C\c1ccc([N+](=O)[O-])cc1

Basic Information

ChEMBL ID CHEMBL1500987
Phase Preclinical
Structure Type MOL
InChI Key OKPRCZZOBQAZOL-YBEGLDIGSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

368.4
MW (Da)
3.06
ALogP
6
HBA
0
HBD
102.9
PSA (Ų)
0.35
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16N2O6
MW 368.35
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -1.34

Activity Summary

IC50 2 meas. best 5.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Perilipin-1/ABHD5
CHEMBL3883313
IC50 5.68 5.68 2068.0 1
1-acylglycerol-3-phosphate O-acyltransferase ABHD5/Perilipin-5
CHEMBL3885501
IC50 5.64 5.64 2269.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine