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Compound Detail

CHEMBL2333596

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CCCCn1c(-c2cccc(Cl)c2)cn2c3c(=O)[nH]c(=O)n(C)c3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2333596
Phase Preclinical
Structure Type MOL
InChI Key VQFJKFWUKSMSNG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

371.8
MW (Da)
2.80
ALogP
6
HBA
1
HBD
77.1
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18ClN5O2
MW 371.83
Aromatic Rings 4
Heavy Atoms 26
NP-Likeness -1.78

Literature References

PubMed DOI Target Context # Activities
23253074 10.1021/jm301187e Ephrin type-B receptor 4 3

Data from ChEMBL 36 via Core Engine