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Compound Detail

CHEMBL3604923

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CCC(=O)Nc1ccccc1Oc1nc(Nc2cc(C)[nH]n2)cc(N2CCN(C)CC2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604923
Phase Preclinical
Structure Type MOL
InChI Key PUMIHMXZIPWOKU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

436.5
MW (Da)
3.14
ALogP
8
HBA
3
HBD
111.3
PSA (Ų)
0.52
QED
0
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N8O2
MW 436.52
Aromatic Rings 3
Heavy Atoms 32
NP-Likeness -1.86

Literature References

PubMed DOI Target Context # Activities
26275028 10.1021/acs.jmedchem.5b01082 Epidermal growth factor receptor 3

Data from ChEMBL 36 via Core Engine