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Compound Detail

CHEMBL458660

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COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2cccc3c2NCC3)c2cc[nH]c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL458660
Phase Preclinical
Structure Type MOL
InChI Key WQXINTAFZSVSHG-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

498.6
MW (Da)
4.95
ALogP
8
HBA
4
HBD
93.4
PSA (Ų)
0.28
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H34N8O
MW 498.64
Aromatic Rings 4
Heavy Atoms 37
NP-Likeness -1.15

Activity Summary

IC50 2 meas. best 6.4

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 6.4 6.085 400.0 2

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 400.0 nM 6.4 Inhibition of IGF1R 19081716
Insulin-like growth factor 1 receptor IC50 = 1695.0 nM 5.77 Inhibition of IGF1R phosphorylation by cellular assay 19081716

Literature References

PubMed DOI Target Context # Activities
19081716 10.1016/j.bmcl.2008.11.065 Insulin-like growth factor 1 receptor 2

Data from ChEMBL 36 via Core Engine