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Compound Detail

CHEMBL4468949

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CCC(=O)N1CCC[C@@H](n2c(=O)c(-c3ccc(Cl)cc3)c(C)c3cnc(Nc4ccc(N5CCN(C)CC5)c(C)c4)nc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4468949
Phase Preclinical
Structure Type MOL
InChI Key VSSYQQWOYOREIW-HHHXNRCGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

614.2
MW (Da)
5.80
ALogP
8
HBA
1
HBD
86.6
PSA (Ų)
0.29
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H40ClN7O2
MW 614.19
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.39

Literature References

PubMed DOI Target Context # Activities
31298540 10.1021/acs.jmedchem.9b00576 Epidermal growth factor receptor 2

Data from ChEMBL 36 via Core Engine