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Compound Detail

CHEMBL3899065

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CCN(CC)CCNC(=O)CCc1ccc(Nc2ncc(Br)c(Nc3ccccc3)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3899065
Phase Preclinical
Structure Type MOL
InChI Key JLPFYLSMXAXOBP-UHFFFAOYSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

511.5
MW (Da)
5.12
ALogP
6
HBA
3
HBD
82.2
PSA (Ų)
0.31
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H31BrN6O
MW 511.47
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.30

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