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Compound Detail

CHEMBL4065517

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CCC(=O)Nc1cc(Nc2n[nH]c3ccccc23)c(OC)cc1N(C)CCN(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4065517
Phase Preclinical
Structure Type MOL
InChI Key GJXLTDYVVAFRPI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

410.5
MW (Da)
3.66
ALogP
6
HBA
3
HBD
85.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H30N6O2
MW 410.52
Aromatic Rings 3
Heavy Atoms 30
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
28225269 10.1021/acs.jmedchem.6b01626 Epidermal growth factor receptor 6

Data from ChEMBL 36 via Core Engine