Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL6008347

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
Cc1s/c(=N\C2CCCCC2)n(/N=C/c2ccc(O)c(O)c2O)c1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL6008347
Phase Preclinical
Structure Type MOL
InChI Key WXWNJXPQSWGSHD-ANYDIMBLSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

361.5
MW (Da)
3.40
ALogP
7
HBA
3
HBD
90.3
PSA (Ų)
0.58
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H23N3O3S
MW 361.47
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness -0.54

Activity Summary

IC50 1 meas. best 8.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog
CHEMBL5768
 IC50 8.82 8.82 1.5 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Induced myeloid leukemia cell differentiation protein Mcl-1 homolog IC50 = 1.5 nM 8.82 High-Throughput Competitive Fluorescence Polarization (FP) Screening Assay: A hi... -

Data from ChEMBL 36 via Core Engine