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Compound Detail

CHEMBL3918907

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CC(C)(C)Nc1nc2c(-c3cc4c([nH]3)CCNC4=O)cccc2[nH]c1=O

Basic Information

ChEMBL ID CHEMBL3918907
Phase Preclinical
Structure Type MOL
InChI Key QVQNZMJSTKPJKL-UHFFFAOYSA-N
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

351.4
MW (Da)
2.41
ALogP
4
HBA
4
HBD
102.7
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H21N5O2
MW 351.41
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -0.54

Activity Summary

IC50 5 meas. best 10.55

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Serine/threonine-protein kinase pim-1
CHEMBL2147
IC50 10.55 9.735 0.0 4
Serine/threonine-protein kinase pim-2
CHEMBL4523
IC50 10.42 10.42 0.0 1

Activity Data Samples

Top measurements by pChEMBL value

Data from ChEMBL 36 via Core Engine