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Compound Detail

CHEMBL3655737

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CC(C)(N)C(=O)N1CCCC(NC(=O)[C@@H]2CCCN2c2nc(Nc3cc(C4CC4)n[nH]3)c3cccn3n2)C1

Basic Information

ChEMBL ID CHEMBL3655737
Phase Preclinical
Structure Type MOL
InChI Key WUBSRAGTWCKDLH-OZBJMMHXSA-N
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

520.6
MW (Da)
1.89
ALogP
9
HBA
4
HBD
149.6
PSA (Ų)
0.37
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H36N10O2
MW 520.64
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -1.48

Activity Summary

IC50 1 meas. best 7.24

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 7.24 7.24 58.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Insulin-like growth factor 1 receptor IC50 = 58.0 nM 7.24 Tyrosine Kinase Assay: Kinase assay using IGF1-receptor. -

Data from ChEMBL 36 via Core Engine