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Compound Detail

CHEMBL5596352

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CNS(=O)(=O)Nc1cccc(Cn2cnc3c(F)c(Nc4ccc(C5CCCC5)cc4F)c(C(=O)NOCCO)cc32)c1F
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5596352
Phase Preclinical
Structure Type MOL
InChI Key QRBWRQJIWFGRSH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

632.7
MW (Da)
4.43
ALogP
8
HBA
5
HBD
146.6
PSA (Ų)
0.11
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H31F3N6O5S
MW 632.67
Aromatic Rings 4
Heavy Atoms 44
NP-Likeness -1.14

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