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Compound Detail

CHEMBL5923367

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C[C@H]1CN(C)CCN1c1cc(NC(=O)Cn2cc(-c3cc(C(N)=O)c(O)c4c3OCO4)c3c(=O)n4c(nc32)CC(C)(C)C4)c(Cl)c(F)n1

Basic Information

ChEMBL ID CHEMBL5923367
Phase Preclinical
Structure Type MOL
InChI Key BVDIOLYYCUETLL-HNNXBMFYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

681.1
MW (Da)
2.95
ALogP
12
HBA
3
HBD
170.1
PSA (Ų)
0.26
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H34ClFN8O6
MW 681.13
Aromatic Rings 4
Heavy Atoms 48
NP-Likeness -0.62

Activity Summary

Kd 1 meas. best 9.06

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
BCL-6/NCOR2
CHEMBL4523673
Kd 9.06 9.06 0.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
BCL-6/NCOR2 Kd = 0.87 nM 9.06 BCL6-BTB-SMRT Peptide Inhibition Fluorescence Polarization (FP) Screen: This ass... -

Data from ChEMBL 36 via Core Engine