Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL1908392

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4ccccc43)c3ccccc3)cc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1908392
Phase Preclinical
Structure Type MOL
InChI Key FCLPVPNWFDOVKL-DQSJHHFOSA-N
7
Targets
14
Activities
2
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

481.6
MW (Da)
3.83
ALogP
5
HBA
2
HBD
67.9
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31N5O2
MW 481.60
Aromatic Rings 3
Heavy Atoms 36
NP-Likeness -1.15

Activity Summary

Ki 12 meas. best 9.33
IC50 2 meas. best 8.44

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Maternal embryonic leucine zipper kinase
CHEMBL4578
 Ki 9.33 9.33 0.5 2
NUAK family SNF1-like kinase 1
CHEMBL5784
 Ki 8.77 8.77 1.7 2
Maternal embryonic leucine zipper kinase
CHEMBL4578
 IC50 8.44 8.44 3.6 2
AMP-activated protein kinase, AMPK
CHEMBL2096907
 Ki 8.38 8.38 4.2 1
Unchecked
CHEMBL612545
 Ki 8.38 8.38 4.2 1
Serine/threonine-protein kinase Chk1
CHEMBL4630
 Ki 8.0 8.0 10.0 2
Calcium/calmodulin-dependent protein kinase kinase 2
CHEMBL5284
 Ki 7.82 7.82 15.0 2
Mitogen-activated protein kinase 1
CHEMBL4040
 Ki 5.94 5.94 1160.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Maternal embryonic leucine zipper kinase Ki = 0.47 nM 9.33 Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown ori... 28351607
Maternal embryonic leucine zipper kinase Ki = 0.47 nM 9.33 MELK Inhibitor Library Screening assay: MELK and its substrate, Bcl-G were both ... -
NUAK family SNF1-like kinase 1 Ki = 1.7 nM 8.77 Inhibition of full length recombinant human N-terminal GST-tagged NUAK1 expresse... 28351607
NUAK family SNF1-like kinase 1 Ki = 1.7 nM 8.77 Selectivity Screening (NUAK1): Candidates for inhibitor selectivity characteriza... -
Maternal embryonic leucine zipper kinase IC50 = 3.6 nM 8.44 Inhibition of His6-tagged MELK catalytic domain (1 to 340 residues) (unknown ori... 28351607
Maternal embryonic leucine zipper kinase IC50 = 3.6 nM 8.44 Characterization of Hits and Compound 15 (MELK-In-1) Derivatives: The top 10 hit... -
AMP-activated protein kinase, AMPK Ki = 4.2 nM 8.38 Inhibition of AMPK (unknown origin) using SAMS peptide as substrate measured aft... 28351607
Unchecked Ki = 4.2 nM 8.38 Selectivity Screening (AMPK): Candidates for inhibitor selectivity characterizat... -
Serine/threonine-protein kinase Chk1 Ki = 10.0 nM 8.0 Inhibition of full length recombinant human N-terminal His-tagged CHK1 expressed... 28351607
Serine/threonine-protein kinase Chk1 Ki = 10.0 nM 8.0 Selectivity Screening (CHK1): Candidates for inhibitor selectivity characterizat... -
Calcium/calmodulin-dependent protein kinase kinase 2 Ki = 15.0 nM 7.82 Inhibition of CAMKK2 (unknown origin) using NUAK2 peptide as substrate measured ... 28351607
Calcium/calmodulin-dependent protein kinase kinase 2 Ki = 15.0 nM 7.82 Selectivity Screening (CAMKK2): Candidates for inhibitor selectivity characteriz... -
Mitogen-activated protein kinase 1 Ki = 1160.0 nM 5.94 Inhibition of ERK2 (unknown origin) using Ets-1 as substrate measured after 30 m... 28351607
Mitogen-activated protein kinase 1 Ki = 1160.0 nM 5.94 Selectivity Screening (ERK2): Candidates for inhibitor selectivity characterizat... -

Literature References

PubMed DOI Target Context # Activities
28351607 10.1016/j.bmc.2017.03.018 Unchecked 5
28351607 10.1016/j.bmc.2017.03.018 Maternal embryonic leucine zipper kinase 2
28351607 10.1016/j.bmc.2017.03.018 NUAK family SNF1-like kinase 1 1
28351607 10.1016/j.bmc.2017.03.018 Mitogen-activated protein kinase 1 1
28351607 10.1016/j.bmc.2017.03.018 Serine/threonine-protein kinase Chk1 1
28351607 10.1016/j.bmc.2017.03.018 Calcium/calmodulin-dependent protein kinase kinase 2 1
28351607 10.1016/j.bmc.2017.03.018 AMP-activated protein kinase, AMPK 1

Data from ChEMBL 36 via Core Engine