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Compound Detail

CHEMBL5433870

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CCCCc1[nH]c(-c2cc(N)ccc2Cl)c2c1C(=O)CCCC2

Basic Information

ChEMBL ID CHEMBL5433870
Phase Preclinical
Structure Type MOL
InChI Key IBMWMXLKRQTPOA-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

330.9
MW (Da)
5.17
ALogP
2
HBA
2
HBD
58.9
PSA (Ų)
0.60
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H23ClN2O
MW 330.86
Aromatic Rings 2
Heavy Atoms 23
NP-Likeness -0.14

Activity Summary

Kd 1 meas. best 6.1

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Bromodomain-containing protein 9
CHEMBL3108640
Kd 6.1 6.1 800.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
36736153 10.1016/j.ejmech.2023.115139 Unchecked 6
36736153 10.1016/j.ejmech.2023.115139 Bromodomain-containing protein 4 1
36736153 10.1016/j.ejmech.2023.115139 CREB-binding protein 1
36736153 10.1016/j.ejmech.2023.115139 Bromodomain-containing protein 7 1
36736153 10.1016/j.ejmech.2023.115139 Bromodomain-containing protein 9 1
36736153 10.1016/j.ejmech.2023.115139 Bromodomain testis-specific protein 1
36736153 10.1016/j.ejmech.2023.115139 Chromatin remodeling regulator CECR2 1

Data from ChEMBL 36 via Core Engine