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Compound Detail

CHEMBL3674607

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CC1(C)c2n[nH]c(Nc3ncnc4ccsc34)c2CN1C(=O)N[C@H]1CC1c1ccccc1

Basic Information

ChEMBL ID CHEMBL3674607
Phase Preclinical
Structure Type MOL
InChI Key OAZGQVQGZOYMDV-JRZJBTRGSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

445.6
MW (Da)
4.47
ALogP
6
HBA
3
HBD
98.8
PSA (Ų)
0.43
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H23N7OS
MW 445.55
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.21

Activity Summary

Ki 1 meas. best 7.39

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase PAK 4
CHEMBL4482
Ki 7.39 7.39 41.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine