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Compound Detail

CHEMBL5786510

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O=C(O)c1ccncc1Nc1nn(C2CCC(F)(F)CC2)c2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5786510
Phase Preclinical
Structure Type MOL
InChI Key NGZUHYKCIFSOED-UHFFFAOYSA-N
3
Targets
9
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

390.4
MW (Da)
4.76
ALogP
5
HBA
2
HBD
80.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H17F3N4O2
MW 390.37
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -1.00

Activity Summary

IC50 9 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 5A
CHEMBL2424504
 IC50 7.3 5.94 50.0 3
Lysine-specific demethylase 5B
CHEMBL3774295
 IC50 7.3 5.94 50.0 3
Lysine-specific demethylase 4C
CHEMBL6175
 IC50 7.3 5.94 50.0 3

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 5A IC50 = 50.0 nM 7.3 Jarid1A Assay: The enzymatic assay of Jarid1A activity is based upon Time Resolv... -
Lysine-specific demethylase 5B IC50 = 50.0 nM 7.3 Jarid1B Assay: The ability of test compounds to inhibit the activity of Jarid1B ... -
Lysine-specific demethylase 4C IC50 = 50.0 nM 7.3 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... -
Lysine-specific demethylase 5A IC50 = 5500.0 nM 5.26 Enzymatic Assay: The enzymatic assay of Jarid1A activity is based upon Time Reso... -
Lysine-specific demethylase 5B IC50 = 5500.0 nM 5.26 Enzymatic Assay: The ability of test compounds to inhibit the activity of Jarid1... -
Lysine-specific demethylase 4C IC50 = 5500.0 nM 5.26 Enzymatic Assay: The ability of test compounds to inhibit the activity of JMJD2C... -
Lysine-specific demethylase 5A IC50 = 5500.0 nM 5.26 Jarid1A Assay: The enzymatic assay of Jarid1A activity is based upon Time Resolv... -
Lysine-specific demethylase 5B IC50 = 5500.0 nM 5.26 Jarid1B Assay: The ability of test compounds to inhibit the activity of Jarid1B ... -
Lysine-specific demethylase 4C IC50 = 5500.0 nM 5.26 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... -

Data from ChEMBL 36 via Core Engine