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Compound Detail

CHEMBL5903914

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Cn1cc(NC(=O)c2cc([C@H]3C[C@@H]3NC3CCC3)cs2)cn1

Basic Information

ChEMBL ID CHEMBL5903914
Phase Preclinical
Structure Type MOL
InChI Key RIILCHKMPVLDAX-KGLIPLIRSA-N
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

316.4
MW (Da)
2.73
ALogP
5
HBA
2
HBD
59.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H20N4OS
MW 316.43
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.98

Activity Summary

IC50 6 meas. best 7.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 7.0 7.0 100.0 1
Lysine-specific histone demethylase 1A
CHEMBL6136
IC50 7.0 7.0 100.0 5

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine