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Compound Detail

CHEMBL5396651

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C=CC(=O)N1CCN(c2nc(OC[C@@H]3CCCN3C)nc3c2cc(-c2cccc4cccc(OC)c24)n3C)C[C@@H]1CC#N
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5396651
Phase Preclinical
Structure Type MOL
InChI Key IKXSAGBSPNYHDD-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

579.7
MW (Da)
4.39
ALogP
9
HBA
0
HBD
99.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C33H37N7O3
MW 579.71
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -0.37

Literature References

PubMed DOI Target Context # Activities
36395648 10.1016/j.ejmech.2022.114907 SOS1-KRAS 2

Data from ChEMBL 36 via Core Engine