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Compound Detail

CHEMBL401767

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Cc1ccn(CCNc2cc[nH]c(=O)c2-c2nc3c(C)cc(N4CCOCC4)cc3[nH]2)n1

Basic Information

ChEMBL ID CHEMBL401767
Phase Preclinical
Structure Type MOL
InChI Key SNOTWCLMAWVNNM-UHFFFAOYSA-N
1
Targets
2
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names

Molecular Properties

433.5
MW (Da)
2.68
ALogP
7
HBA
3
HBD
103.9
PSA (Ų)
0.43
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 C23H27N7O2
MW 433.52
Aromatic Rings 4
Heavy Atoms 32
NP-Likeness -1.62

Activity Summary

IC50 2 meas. best 6.54

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Insulin-like growth factor 1 receptor
CHEMBL1957
IC50 6.54 6.46 290.0 2

Pharmacokinetic Data

Parameter Value Units Species
AUC 520224.0 ng.hr.mL-1 Mus musculus

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
18258427 10.1016/j.bmcl.2008.01.049 Insulin-like growth factor 1 receptor 2
18258427 10.1016/j.bmcl.2008.01.049 Mus musculus 1

Data from ChEMBL 36 via Core Engine