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Compound Detail

CHEMBL4087931

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CCc1nc2ccc(C3CCN(S(C)(=O)=O)CC3)cn2c1N(C)c1nc(-c2ccc(F)cc2)c(C(=O)O)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4087931
Phase Preclinical
Structure Type MOL
InChI Key GCHQCVNNAYHADX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

557.7
MW (Da)
4.76
ALogP
8
HBA
1
HBD
108.1
PSA (Ų)
0.35
QED
1
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H28FN5O4S2
MW 557.67
Aromatic Rings 4
Heavy Atoms 38
NP-Likeness -1.61

Literature References

PubMed DOI Target Context # Activities
28731719 10.1021/acs.jmedchem.7b00647 Autotaxin 1

Data from ChEMBL 36 via Core Engine