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Compound Detail

CHEMBL2441929

ACOLTREMON
🧪 Phase II
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🧪 Phase II
COc1ccc(NC(=O)[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cc1

Basic Information

ChEMBL ID CHEMBL2441929
Name ACOLTREMON
Phase Phase II
Structure Type MOL
InChI Key HNSGVPAAXJJOPQ-XOKHGSTOSA-N

Known Names

Acoltremon AR-15512 AVX-012 FEMA NO. 4681 WS-12
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
15
Publications
5
Known Names
1
Indications

Molecular Properties

289.4
MW (Da)
4.34
ALogP
2
HBA
1
HBD
38.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer
USAN Stem -tremon
USAN Year 2023

Extended Properties

Molecular Formula C18H27NO2
MW 289.42
Aromatic Rings 1
Heavy Atoms 21
NP-Likeness -0.22

Indications

Dry Eye Syndromes

Activity Summary

EC50 2 meas. best 7.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Transient receptor potential cation channel subfamily M member 8
CHEMBL1075319
EC50 7.4 6.16 40.0 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL5303304 Fibroblast 6
- 10.6019/CHEMBL5303304 U2OS 4
24080460 10.1016/j.bmcl.2013.09.016 Transient receptor potential cation channel subfamily M member 8 1
27437828 10.1021/acs.jmedchem.6b00305 Transient receptor potential cation channel subfamily M member 8 1
- 10.6019/CHEMBL5303304 HEK-293T 1
- 10.6019/CHEMBL5665443 Methyl-CpG-binding domain protein 4 1
- 10.6019/CHEMBL5665443 DNA-3-methyladenine glycosylase 1
- 10.6019/CHEMBL5665443 Adenine DNA glycosylase 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 1 1
- 10.6019/CHEMBL5665443 Endonuclease 8-like 2 1
- 10.6019/CHEMBL5665443 Endonuclease III-like protein 1 1
- 10.6019/CHEMBL5665443 N-glycosylase/DNA lyase 1
- 10.6019/CHEMBL5665443 Single-strand selective monofunctional uracil DNA glycosylase 1
- 10.6019/CHEMBL5665443 G/T mismatch-specific thymine DNA glycosylase 1
- 10.6019/CHEMBL5665443 Uracil-DNA glycosylase 1

Data from ChEMBL 36 via Core Engine