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

CHEMBL5757332

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
CCc1c2c(nn1C)C(N1CCOCC1)CCN(C)S(=O)(=O)CCCn1c(C(=O)O)c(CCCOc3cccc4cc(F)ccc34)c3ccc(Cl)c-2c31
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5757332
Phase Preclinical
Structure Type MOL
InChI Key SOSFJVGXMDRHJQ-UHFFFAOYSA-N
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

766.3
MW (Da)
6.69
ALogP
9
HBA
1
HBD
119.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H45ClFN5O6S
MW 766.34
Aromatic Rings 5
Heavy Atoms 53
NP-Likeness -0.98

Activity Summary

IC50 3 meas. best 9.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1
CHEMBL6066576
 IC50 9.1 8.33 0.8 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 IC50 = 0.8 nM 9.1 Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... -
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 IC50 = 1.5 nM 8.82 Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... -
Induced myeloid leukemia cell differentiation protein Mcl-1/Phorbol-12-myristate-13-acetate-induced protein 1 IC50 = 86.0 nM 7.07 Protein-Protein Interaction Assay: MCL-1/Noxa BH3 Peptide (MCL-1 Assay): From th... -

Data from ChEMBL 36 via Core Engine