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Compound Detail

CHEMBL5429146

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COCCCn1nc(-c2ccc(CC(=O)Nc3cc(C(C)(C)C)on3)cc2)c2c(N)ncnc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5429146
Phase Preclinical
Structure Type MOL
InChI Key BKQYJXHKEPVJNX-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.58
ALogP
9
HBA
2
HBD
134.0
PSA (Ų)
0.38
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C24H29N7O3
MW 463.54
Aromatic Rings 4
Heavy Atoms 34
NP-Likeness -1.57

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
36622056 10.1021/acs.jmedchem.2c01827 Proto-oncogene tyrosine-protein kinase receptor Ret 1

Data from ChEMBL 36 via Core Engine