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Compound Detail

CHEMBL3905023

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COc1cncc(-c2cc3c(-c4cccc(N5CCNCC5)n4)n[nH]c3cn2)c1

Basic Information

ChEMBL ID CHEMBL3905023
Phase Preclinical
Structure Type MOL
InChI Key AULGETLJHUOABE-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

387.4
MW (Da)
2.50
ALogP
7
HBA
2
HBD
91.8
PSA (Ų)
0.56
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 C21H21N7O
MW 387.45
Aromatic Rings 4
Heavy Atoms 29
NP-Likeness -1.24

Activity Summary

Ki 2 meas. best 10.68

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
Ki 10.68 10.68 0.0 2

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine