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Compound Detail

CHEMBL3545403

BMS-833923
🧪 Phase II
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🧪 Phase II
CNCc1ccc(C)c(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4ccccc4n3)cc2)c1

Basic Information

ChEMBL ID CHEMBL3545403
Name BMS-833923
Phase Phase II
Structure Type MOL
InChI Key KLRRGBHZCJLIEL-UHFFFAOYSA-N

Known Names

Bms-833923 BMS-833923 DIMESYLATE MONOHYDRATE BMS-833923 FREE BASE ANHYDROUS XL-139 XL139
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
8
Publications
5
Known Names
7
Indications
1
Mechanisms

Molecular Properties

473.6
MW (Da)
6.32
ALogP
5
HBA
3
HBD
78.9
PSA (Ų)
0.26
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Achiral

Extended Properties

Molecular Formula C30H27N5O
MW 473.58
Aromatic Rings 5
Heavy Atoms 36
NP-Likeness -1.23

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Smoothened homolog antagonist ANTAGONIST Protein smoothened

Indications

Leukemia Basal Cell Nevus Syndrome Carcinoma, Basal Cell Esophageal Neoplasms Neoplasms Small Cell Lung Carcinoma Stomach Neoplasms

Activity Summary

IC50 2 meas. best 5.6

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Schistosoma mansoni
CHEMBL612893
IC50 5.6 5.53 2500.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4651402 SARS-CoV-2 4
33479649 10.1039/D0MD00062K Schistosoma mansoni 3
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
- 10.6019/CHEMBL4651402 Vero C1008 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
24973920 10.1038/nm.3613 Medulloblastoma cell 1

Data from ChEMBL 36 via Core Engine