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Compound Detail

CHEMBL1348273

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CC(C)n1c(SCC(=O)Nc2nncs2)nnc1-c1ccco1

Basic Information

ChEMBL ID CHEMBL1348273
Phase Preclinical
Structure Type MOL
InChI Key RDCLDNUTFWCRNO-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

350.4
MW (Da)
2.70
ALogP
9
HBA
1
HBD
98.7
PSA (Ų)
0.68
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C13H14N6O2S2
MW 350.43
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -3.39

Activity Summary

IC50 2 meas. best 5.33

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Aspartyl aminopeptidase
CHEMBL1293263
IC50 5.33 5.33 4678.0 1
Induced myeloid leukemia cell differentiation protein Mcl-1
CHEMBL4361
IC50 4.74 4.74 18122.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine