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Compound Detail

CHEMBL5910955

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O=C(O)c1ccncc1Nc1cn(C2CCOC2)c2ccc(F)cc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5910955
Phase Preclinical
Structure Type MOL
InChI Key HLHPSEPZDHRQDS-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.3
MW (Da)
3.58
ALogP
5
HBA
2
HBD
76.4
PSA (Ų)
0.76
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H16FN3O3
MW 341.34
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -0.77

Activity Summary

IC50 2 meas. best 9.26

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Lysine-specific demethylase 4C
CHEMBL6175
 IC50 9.26 9.26 0.6 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Lysine-specific demethylase 4C IC50 = 0.55 nM 9.26 JMJD2C Assay: The ability of test compounds to inhibit the activity of JMJD2C wa... -

Data from ChEMBL 36 via Core Engine