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Compound Detail

CHEMBL3927435

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Cn1cc(-c2cc3c(-c4ccc(Br)c(N5CCC(N)CC5)n4)n[nH]c3cn2)cn1

Basic Information

ChEMBL ID CHEMBL3927435
Phase Preclinical
Structure Type MOL
InChI Key YVACBLRXIPFIHT-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

453.4
MW (Da)
3.11
ALogP
7
HBA
2
HBD
101.5
PSA (Ų)
0.49
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H21BrN8
MW 453.35
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.46

Activity Summary

Ki 2 meas. best 10.52

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.52 10.52 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine