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Compound Detail

CHEMBL5865073

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N#CC(c1ccccc1)(C1CCN(CC2CN(c3ccc(S(=O)(=O)c4ccncc4)cc3)C2)CC1)[C@H]1CCC[C@@H]1OC(N)=O

Basic Information

ChEMBL ID CHEMBL5865073
Phase Preclinical
Structure Type MOL
InChI Key SDGOMCIESMUDGQ-QKZQDKRESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

613.8
MW (Da)
4.79
ALogP
8
HBA
1
HBD
129.6
PSA (Ų)
0.36
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H39N5O4S
MW 613.78
Aromatic Rings 3
Heavy Atoms 44
NP-Likeness -0.76

Activity Summary

IC50 1 meas. best 8.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Menin
CHEMBL1615381
IC50 8.05 8.05 9.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Menin IC50 = 9.0 nM 8.05 Fluorescence Polarization (FP) Competitive Binding Assay: A fluorescence polariz... -

Data from ChEMBL 36 via Core Engine