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Compound Detail

CHEMBL5395838

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CN1CCn2c(nc3ccc(-c4cc5cnc(N6CCCC6)nc5n(-c5ccc(OC(F)F)cc5)c4=O)cc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5395838
Phase Preclinical
Structure Type MOL
InChI Key AKTBTGDIQGTSLJ-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

543.6
MW (Da)
4.44
ALogP
9
HBA
0
HBD
81.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
5
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H27F2N7O2
MW 543.58
Aromatic Rings 5
Heavy Atoms 40
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
36961373 10.1021/acs.jmedchem.2c02006 S-adenosylmethionine synthase isoform type-2 1
36961373 10.1021/acs.jmedchem.2c02006 HCT-116 1

Data from ChEMBL 36 via Core Engine