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Compound Detail

CHEMBL3912033

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N#Cc1ccc2[nH]c(NC(=O)c3ccc4cc5n(c4c3)CCCNC5=O)nc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3912033
Phase Preclinical
Structure Type MOL
InChI Key SRYWIXAMNRCZBU-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.78
ALogP
5
HBA
3
HBD
115.6
PSA (Ų)
0.49
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H16N6O2
MW 384.40
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.22

Activity Summary

IC50 1 meas. best 8.31

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Ribosomal protein S6 kinase alpha-2
CHEMBL3906
 IC50 8.31 8.31 4.9 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Ribosomal protein S6 kinase alpha-2 IC50 = 4.9 nM 8.31 Kinase Glo Plus Assay: Human RSK2 protein, purchased from Invitrogen, is used to... -

Data from ChEMBL 36 via Core Engine