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Compound Detail

CHEMBL5590964

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CCNS(=O)(=O)Nc1ccc(F)c(Cn2cnc3c(F)c(Nc4ccc(C5CC5)cc4F)c(C(=O)NOCCO)cc32)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5590964
Phase Preclinical
Structure Type MOL
InChI Key USHUHBGWNCCPMO-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

618.6
MW (Da)
4.04
ALogP
8
HBA
5
HBD
146.6
PSA (Ų)
0.11
QED
1
Ro5 Violations
13
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H29F3N6O5S
MW 618.64
Aromatic Rings 4
Heavy Atoms 43
NP-Likeness -1.37

Literature References

PubMed DOI Target Context # Activities
39166848 10.1021/acs.jmedchem.4c00860 MIA PaCa-2 2
39166848 10.1021/acs.jmedchem.4c00860 HCT-116 2
39166848 10.1021/acs.jmedchem.4c00860 Dual specificity mitogen-activated protein kinase kinase 1 1
39166848 10.1021/acs.jmedchem.4c00860 Serine/threonine-protein kinase B-raf 1

Data from ChEMBL 36 via Core Engine