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Compound Detail

CHEMBL24135

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NCc1nc2ccccc2c(-c2ccccc2)c1C(=O)NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24135
Phase Preclinical
Structure Type MOL
InChI Key OCQZYGJWLHVJRD-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

503.4
MW (Da)
6.33
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.31
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H19F6N3O
MW 503.45
Aromatic Rings 4
Heavy Atoms 36
NP-Likeness -0.90

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
14998319 10.1021/jm034219a Substance-P receptor 2

Data from ChEMBL 36 via Core Engine