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Compound Detail

CHEMBL5800273

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COc1ccccc1-c1cc(C(F)(F)F)nc(N2CCN(c3ccccc3OC)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5800273
Phase Preclinical
Structure Type MOL
InChI Key VAACNUHBNNORND-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

444.5
MW (Da)
4.51
ALogP
6
HBA
0
HBD
50.7
PSA (Ų)
0.58
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23F3N4O2
MW 444.46
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.29

Activity Summary

Kd 1 meas. best 5.0

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Advanced glycosylation end product-specific receptor
CHEMBL2176846
 Kd 5.0 5.0 10000.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Advanced glycosylation end product-specific receptor Kd = 10000.0 nM 5.0 High-Throughput Screening Assay: Day 1Step 1. Add 50 μl anti-mDial (1:160 diluti... -

Data from ChEMBL 36 via Core Engine