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Compound Detail

CHEMBL1762148

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COc1cc2c(-c3cc4cccnc4[nH]3)cn(C)c2cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1762148
Phase Preclinical
Structure Type MOL
InChI Key GZRCWJUTTURNJO-UHFFFAOYSA-N
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

307.4
MW (Da)
3.74
ALogP
4
HBA
1
HBD
52.1
PSA (Ų)
0.63
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H17N3O2
MW 307.35
Aromatic Rings 4
Heavy Atoms 23
NP-Likeness -0.50

Activity Summary

IC50 8 meas. best 8.8

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
MEF
CHEMBL614342
 IC50 8.8 8.8 1.6 1
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 7.48 7.2471 33.0 7

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
MEF IC50 = 1.6 nM 8.8 Antiproliferative activity against mouse MEF cells transfected with human IGF1R ... 21441024
Insulin-like growth factor 1 receptor IC50 = 33.0 nM 7.48 Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr... 21441024
Insulin-like growth factor 1 receptor IC50 = 34.0 nM 7.47 Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr... 21441024
Insulin-like growth factor 1 receptor IC50 = 34.0 nM 7.47 Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr... 21441024
Insulin-like growth factor 1 receptor IC50 = 35.0 nM 7.46 Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr... 21441024
Insulin-like growth factor 1 receptor IC50 = 55.0 nM 7.26 Inhibition of IGF-induced autophosphosphorylation of GST-tagged human IGF1R expr... 21441024
Insulin-like growth factor 1 receptor IC50 = 145.0 nM 6.84 Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulate... 21441024
Insulin-like growth factor 1 receptor IC50 = 180.0 nM 6.75 Inhibition of autophosphosphorylation of human IGF1R expressed in IGF1-stimulate... 21441024

Literature References

PubMed DOI Target Context # Activities
21441024 10.1016/j.bmcl.2011.03.003 Insulin-like growth factor 1 receptor 7
21441024 10.1016/j.bmcl.2011.03.003 MEF 1

Data from ChEMBL 36 via Core Engine