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Compound Detail

CHEMBL202241

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COc1cc2c(Nc3ncc(CC(=O)Nc4cccc(F)c4)s3)ncnc2cc1OCCCN1CCOCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL202241
Phase Preclinical
Structure Type MOL
InChI Key LADMWECVCSKFPZ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

552.6
MW (Da)
4.26
ALogP
10
HBA
2
HBD
110.7
PSA (Ų)
0.26
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29FN6O4S
MW 552.63
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.92

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