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Compound Detail

CHEMBL3655758

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CC1(c2cc(Nc3nc(N4C[C@H](F)C[C@H]4C(=O)Nc4ncns4)nn4cccc34)[nH]n2)CC1

Basic Information

ChEMBL ID CHEMBL3655758
Phase Preclinical
Structure Type MOL
InChI Key ZZCAOGKFXAASLX-YPMHNXCESA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

468.5
MW (Da)
2.65
ALogP
10
HBA
3
HBD
129.0
PSA (Ų)
0.39
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 C20H21FN10OS
MW 468.52
Aromatic Rings 4
Heavy Atoms 33
NP-Likeness -1.27

Activity Summary

IC50 1 meas. best 8.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 8.3 8.3 5.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 5.0 nM 8.3 Tyrosine Kinase Assay: Kinase assay using IGF1-receptor. -

Data from ChEMBL 36 via Core Engine