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Compound Detail

CHEMBL8000

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O=C1c2cc(Nc3ccccc3)c(Nc3ccccc3)cc2C(=O)N1c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL8000
Phase Preclinical
Structure Type MOL
InChI Key LRCXLVSLCVACQP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

405.5
MW (Da)
5.97
ALogP
4
HBA
2
HBD
61.4
PSA (Ų)
0.40
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19N3O2
MW 405.46
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.75

Literature References

PubMed DOI Target Context # Activities
8151612 10.1021/jm00033a019 Epidermal growth factor receptor 2
8151612 10.1021/jm00033a019 Protein kinase C (PKC) 1
8151612 10.1021/jm00033a019 cAMP-dependent protein kinase alpha-catalytic subunit 1
8151612 10.1021/jm00033a019 Platelet-derived growth factor receptor 1
8151612 10.1021/jm00033a019 Unchecked 1

Data from ChEMBL 36 via Core Engine