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Compound Detail

CHEMBL202370

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COc1cc2c(Nc3nc(C(=O)Nc4ccc(F)cc4)c[nH]3)ncnc2cc1OCCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202370
Phase Preclinical
Structure Type MOL
InChI Key CZWFMNGZVXFFDM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

521.5
MW (Da)
3.60
ALogP
9
HBA
3
HBD
126.5
PSA (Ų)
0.27
QED
1
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28FN7O4
MW 521.55
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.49

Literature References

PubMed DOI Target Context # Activities
16451062 10.1021/jm050786h Aurora kinase A 1
16451062 10.1021/jm050786h Unchecked 1
16451062 10.1021/jm050786h SW-620 1

Data from ChEMBL 36 via Core Engine