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Compound Detail

CHEMBL3932204

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Nc1ncc(-c2cccc(N3CCOCC3)c2)nc1C(=O)Nc1ncccc1N1CCC(N)CC1

Basic Information

ChEMBL ID CHEMBL3932204
Phase Preclinical
Structure Type MOL
InChI Key YIAUOBNZXMZCFP-UHFFFAOYSA-N
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

474.6
MW (Da)
2.14
ALogP
9
HBA
3
HBD
135.5
PSA (Ų)
0.51
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 C25H30N8O2
MW 474.57
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.38

Activity Summary

IC50 4 meas. best 9.89

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Protein kinase C alpha type
CHEMBL299
IC50 9.89 9.795 0.1 2
Protein kinase C theta type
CHEMBL3920
IC50 8.82 8.685 1.5 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine