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Compound Detail

CHEMBL3604914

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CCC(=O)Nc1ccccc1-c1nc(Nc2cc[nH]n2)c2ccccc2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3604914
Phase Preclinical
Structure Type MOL
InChI Key FHJGHEFNWWKQAN-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

358.4
MW (Da)
4.11
ALogP
5
HBA
3
HBD
95.6
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C20H18N6O
MW 358.41
Aromatic Rings 4
Heavy Atoms 27
NP-Likeness -1.82

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