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Compound Detail

CHEMBL3898928

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Brc1cnc(Nc2ccc(N3CCOCC3)cc2)nc1Nc1cc(C2CC2)n[nH]1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3898928
Phase Preclinical
Structure Type MOL
InChI Key MEAQPRRPUGMYLI-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

456.4
MW (Da)
4.16
ALogP
7
HBA
3
HBD
91.0
PSA (Ų)
0.51
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 C20H22BrN7O
MW 456.35
Aromatic Rings 3
Heavy Atoms 29
NP-Likeness -1.67

Activity Summary

IC50 1 meas. best 7.3

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
 IC50 7.3 7.3 50.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 50.0 nM 7.3 Inhibition of human IGF1R kinase domain (M954 to C1367 residues) un-phosphorylat... -

Data from ChEMBL 36 via Core Engine