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Compound Detail

CHEMBL24872

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CN1CCN(Cc2nc3ccccc3c(-c3ccccc3)c2C(=O)NCc2cc(C(F)(F)F)cc(C(F)(F)F)c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL24872
Phase Preclinical
Structure Type MOL
InChI Key HNQQZKOBGZCHJY-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

586.6
MW (Da)
6.62
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.26
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 C31H28F6N4O
MW 586.58
Aromatic Rings 4
Heavy Atoms 42
NP-Likeness -1.12

Literature References

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

Data from ChEMBL 36 via Core Engine