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Compound Detail

CHEMBL1593697

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CN(C)C1C(=O)C(C(N)=O)=C(O)C2(O)C(O)=C3C(=O)c4c(O)cccc4C(C)(O)C3C(O)C12

Basic Information

ChEMBL ID CHEMBL1593697
Phase Preclinical
Structure Type MOL
InChI Key KTUXFHGUHYRDNF-UHFFFAOYSA-N
3
Targets
11
Activities
2
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

460.4
MW (Da)
-1.24
ALogP
10
HBA
7
HBD
201.8
PSA (Ų)
0.26
QED
1
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C22H24N2O9
MW 460.44
Aromatic Rings 1
Heavy Atoms 33
NP-Likeness 1.59

Activity Summary

IC50 8 meas. best 6.24
EC50 3 meas. best 5.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 6.24 5.5913 580.0 8
Unchecked
CHEMBL612545
EC50 5.06 5.06 8681.0 1
Zinc finger protein mex-5
CHEMBL1293319
EC50 4.52 4.52 29914.0 1
RNA-binding protein pos-1
CHEMBL1293304
EC50 4.18 4.18 65822.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine