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Compound Detail

CHEMBL296262

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O=S(=O)(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](NCc2ccnc3ccccc23)C[C@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL296262
Phase Preclinical
Structure Type MOL
InChI Key GLQPSHHXUBPHPL-LOSJGSFVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

607.6
MW (Da)
6.83
ALogP
4
HBA
1
HBD
62.3
PSA (Ų)
0.23
QED
2
Ro5 Violations
7
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H27F6N3O2S
MW 607.62
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -0.99

Literature References

PubMed DOI Target Context # Activities
- 10.1016/0960-894X(96)00287-9 Substance-P receptor 1

Data from ChEMBL 36 via Core Engine