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Compound Detail

CHEMBL5995688

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O=C(NCc1c(F)cc(F)cc1F)c1cn2c(c(O)c1=O)C(=O)N[C@H]1CCC[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5995688
Phase Preclinical
Structure Type MOL
InChI Key QHTBWYDFKKHSRV-UONOGXRCSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

407.4
MW (Da)
1.74
ALogP
5
HBA
3
HBD
100.4
PSA (Ų)
0.72
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H16F3N3O4
MW 407.35
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -0.47

Activity Summary

IC50 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
POU domain, class 2, transcription factor 2
CHEMBL3509582
 IC50 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
POU domain, class 2, transcription factor 2 IC50 = 10000.0 nM 5.0 Inhibition Assay: The dose dependent inhibition of OCT2 mediated uptake of a mod... -

Data from ChEMBL 36 via Core Engine