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Compound Detail

CHEMBL5834491

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CC1=NN(c2nc3ccccc3s2)C(=O)C1CCC(C)C

Basic Information

ChEMBL ID CHEMBL5834491
Phase Preclinical
Structure Type MOL
InChI Key BBMKLTTYCHIKTJ-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

301.4
MW (Da)
4.07
ALogP
4
HBA
0
HBD
45.6
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H19N3OS
MW 301.42
Aromatic Rings 2
Heavy Atoms 21
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

Data from ChEMBL 36 via Core Engine