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Compound Detail

CHEMBL3699796

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CN(C)C[C@H]1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21

Basic Information

ChEMBL ID CHEMBL3699796
Phase Preclinical
Structure Type MOL
InChI Key SYULZYLLWJVGRP-HNNXBMFYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

397.5
MW (Da)
0.84
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H27N5O3
MW 397.48
Aromatic Rings 2
Heavy Atoms 29
NP-Likeness -1.47

Activity Summary

IC50 2 meas. best 7.58

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
RAC-alpha serine/threonine-protein kinase
CHEMBL4282
IC50 7.58 7.58 26.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine