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Compound Detail

CHEMBL5095243

INCB-059872
Phase I
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Phase I
COCC1(CN[C@@H]2C[C@H]2c2ccccc2)CCN(CC2(C(=O)O)CCC2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5095243
Name INCB-059872
Phase Phase I
Structure Type MOL
InChI Key WBPWDDPSYSUQJA-VQTJNVASSA-N

Known Names

Incb 59872 Incb-059872 INCB059872
1
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
5
Indications

Molecular Properties

386.5
MW (Da)
3.12
ALogP
4
HBA
2
HBD
61.8
PSA (Ų)
0.68
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Extended Properties

Molecular Formula C23H34N2O3
MW 386.54
Aromatic Rings 1
Heavy Atoms 28
NP-Likeness 0.07

Indications

Anemia, Sickle Cell Hematologic Neoplasms Neoplasms Neoplasms Sarcoma, Ewing

Activity Summary

IC50 5 meas. best 7.75

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific histone demethylase 1A
CHEMBL6136
 IC50 7.75 7.75 18.0 5

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific histone demethylase 1A IC50 = 18.0 nM 7.75 Inhibition of LSD1 (unknown origin) 37086699
Lysine-specific histone demethylase 1A IC50 = 18.0 nM 7.75 Inhibition of LSD1 (unknown origin) 37014989
Lysine-specific histone demethylase 1A IC50 = 18.0 nM 7.75 Inhibition of N-terminal His-tagged LSD1 (unknown origin) 38043489
Lysine-specific histone demethylase 1A IC50 = 18.0 nM 7.75 Inhibition of human recombinant LSD1 expressed in Escherichia coli BL21 (DE3) us... 38214982
Lysine-specific histone demethylase 1A IC50 = 18.0 nM 7.75 Inhibition of C-terminal His-tagged LSD1 (unknown origin) expressed in Escherich... 38214982

Literature References

PubMed DOI Target Context # Activities
38214982 10.1021/acs.jmedchem.3c02133 Lysine-specific histone demethylase 1A 2
37086699 10.1016/j.ejmech.2023.115367 Lysine-specific histone demethylase 1A 1
37014989 10.1021/acs.jmedchem.2c01527 Lysine-specific histone demethylase 1A 1
38043489 10.1016/j.ejmech.2023.115999 Lysine-specific histone demethylase 1A 1

Data from ChEMBL 36 via Core Engine