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Compound Detail

CHEMBL5569006

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c1cc(-c2ccc3nc(N4CCCC4)ncc3c2)nc(Nc2ccc(OC3CCNCC3)cc2)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5569006
Phase Preclinical
Structure Type MOL
InChI Key KHKLMPXBCFKGAF-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

467.6
MW (Da)
4.56
ALogP
8
HBA
2
HBD
88.1
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H29N7O
MW 467.58
Aromatic Rings 4
Heavy Atoms 35
NP-Likeness -1.01

Literature References

PubMed DOI Target Context # Activities
38894933 10.1021/acsmedchemlett.4c00125 Serine/threonine-protein kinase 17A 1

Data from ChEMBL 36 via Core Engine