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Compound Detail

CHEMBL1923234

WP 1066
🧪 Phase II
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🧪 Phase II
C[C@H](NC(=O)/C(C#N)=C/c1cccc(Br)n1)c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1923234
Name WP 1066
Phase Phase II
Structure Type MOL
InChI Key VFUAJMPDXIRPKO-LQELWAHVSA-N

Known Names

Wp 1066 WP-1066 Wp1066
4
Targets
11
Activities
1
Assay Types
0
PK Parameters
18
Publications
3
Known Names

Molecular Properties

356.2
MW (Da)
3.63
ALogP
3
HBA
1
HBD
65.8
PSA (Ų)
0.52
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Single Enantiomer

Flags

Natural Product

Extended Properties

Molecular Formula C17H14BrN3O
MW 356.22
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.45

Activity Summary

IC50 11 meas. best 5.92

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
NON-PROTEIN TARGET
CHEMBL3879801
 IC50 5.92 5.63 1200.0 6
U-266
CHEMBL2366315
 IC50 5.82 5.82 1500.0 1
Signal transducer and activator of transcription 3
CHEMBL4026
 IC50 5.75 5.5133 1790.0 3
HeLa
CHEMBL399
 IC50 5.38 5.38 4200.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
NON-PROTEIN TARGET IC50 = 1200.0 nM 5.92 Antitumor activity against human MM1 cells after 24 to 72 hrs by MTT assay 22036213
U-266 IC50 = 1500.0 nM 5.82 Antitumor activity against human U266 cells after 24 to 72 hrs by MTT assay 22036213
NON-PROTEIN TARGET IC50 = 1800.0 nM 5.75 Antitumor activity against human OCI-My4 cells after 24 to 72 hrs by MTT assay 22036213
NON-PROTEIN TARGET IC50 = 1800.0 nM 5.75 Cytotoxicity against human 30M cells assessed as cell viability after 8 days by ... 24900612
Signal transducer and activator of transcription 3 IC50 = 1790.0 nM 5.75 Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6... 34055214
NON-PROTEIN TARGET IC50 = 2100.0 nM 5.68 Cytotoxicity against human 73M cells assessed as cell viability after 8 days by ... 24900612
Signal transducer and activator of transcription 3 IC50 = 2500.0 nM 5.6 Inhibition of IL-6 induced STAT3 transcriptional activity in human HEK-Blue IL-6... 34055214
NON-PROTEIN TARGET IC50 = 3700.0 nM 5.43 Antitumor activity against human U373MG cells after 24 to 72 hrs by MTT assay 22036213
HeLa IC50 = 4200.0 nM 5.38 Cytotoxicity against human HeLa cells assessed as inhibition of cell viability m... 34055214
NON-PROTEIN TARGET IC50 = 5600.0 nM 5.25 Antitumor activity against human U87MG cells after 24 to 72 hrs by MTT assay 22036213
Signal transducer and activator of transcription 3 IC50 = 6440.0 nM 5.19 Inhibition of STAT3 in human HEK293 cells assessed as inhibition of IL-6 stimula... 36786551

Literature References

PubMed DOI Target Context # Activities
33691794 10.1186/s13148-021-01037-1 A549 4
22036213 10.1016/j.bmc.2011.09.057 NON-PROTEIN TARGET 4
24900612 10.1021/ml4003138 NON-PROTEIN TARGET 2
- 10.6019/CHEMBL4495565 SARS-CoV-2 2
34055214 10.1021/acsmedchemlett.0c00544 Signal transducer and activator of transcription 3 2
34055214 10.1021/acsmedchemlett.0c00544 HEK-293T 2
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
34055214 10.1021/acsmedchemlett.0c00544 HeLa 1
38157838 10.1016/j.bmc.2023.117561 Unchecked 1
36786551 10.1021/acs.jmedchem.2c01115 Signal transducer and activator of transcription 3 1
34418571 10.1016/j.bmcl.2021.128332 Unchecked 1
34418571 10.1016/j.bmcl.2021.128332 HepG2 1
34055214 10.1021/acsmedchemlett.0c00544 Unchecked 1
22036213 10.1016/j.bmc.2011.09.057 U373 MG 1
- 10.6019/CHEMBL4495564 Replicase polyprotein 1ab 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1
22036213 10.1016/j.bmc.2011.09.057 U-266 1
22036213 10.1016/j.bmc.2011.09.057 U-87 MG 1

Data from ChEMBL 36 via Core Engine