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Compound Detail

CHEMBL3792736

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Nc1cc(-c2ccncc2NC(=O)c2nc(-c3nccs3)ccc2N)nc(C(F)(F)F)n1

Basic Information

ChEMBL ID CHEMBL3792736
Phase Preclinical
Structure Type MOL
InChI Key UJBYRAUXLUMCGW-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

458.4
MW (Da)
3.49
ALogP
9
HBA
3
HBD
145.6
PSA (Ų)
0.42
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 C19H13F3N8OS
MW 458.43
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.31

Activity Summary

EC50 1 meas. best 5.82

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
EC50 5.82 5.82 1500.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET EC50 = 1500.0 nM 5.82 Antiproliferative activity against human KMS11 expressing luciferase gene after ... 26995528

Literature References

PubMed DOI Target Context # Activities
26995528 10.1016/j.bmcl.2016.03.037 Liver microsome 2
26995528 10.1016/j.bmcl.2016.03.037 Serine/threonine-protein kinase pim-1 1
26995528 10.1016/j.bmcl.2016.03.037 Serine/threonine-protein kinase pim-2 1
26995528 10.1016/j.bmcl.2016.03.037 Serine/threonine-protein kinase pim-3 1
26995528 10.1016/j.bmcl.2016.03.037 NON-PROTEIN TARGET 1

Data from ChEMBL 36 via Core Engine