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Compound Detail

CHEMBL4788811

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O=C(NO)c1ccc(N(Cc2cnc(C3CCCCC3)cn2)C(=O)[C@H]2CCN2S(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)c(F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4788811
Phase Preclinical
Structure Type MOL
InChI Key GNOAKNALFKPTNJ-HXUWFJFHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

657.6
MW (Da)
4.47
ALogP
7
HBA
2
HBD
132.8
PSA (Ų)
0.12
QED
1
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H25F6N5O5S
MW 657.59
Aromatic Rings 3
Heavy Atoms 45
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
33352047 10.1021/acs.jmedchem.0c01705 MDA-MB-231 1
33352047 10.1021/acs.jmedchem.0c01705 MDA-MB-468 1
33352047 10.1021/acs.jmedchem.0c01705 MCF7 1
33352047 10.1021/acs.jmedchem.0c01705 MCF-10A 1
33352047 10.1021/acs.jmedchem.0c01705 Signal transducer and activator of transcription 3 1

Data from ChEMBL 36 via Core Engine