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Compound Detail

CHEMBL25058

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O=C(NCc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1c(CN2C(=O)c3ccccc3C2=O)nc2ccccc2c1-c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL25058
Phase Preclinical
Structure Type MOL
InChI Key TZBLHTJIWAJSOK-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

633.5
MW (Da)
7.67
ALogP
4
HBA
1
HBD
79.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H21F6N3O3
MW 633.55
Aromatic Rings 5
Heavy Atoms 46
NP-Likeness -0.93

Literature References

PubMed DOI Target Context # Activities
14998319 10.1021/jm034219a Substance-P receptor 1

Data from ChEMBL 36 via Core Engine