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Compound Detail

CHEMBL1644968

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Fc1ccc(C(CCCN2CCN(c3ccc(Cl)cc3)CC2)c2ccc(F)cc2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1644968
Phase Preclinical
Structure Type MOL
InChI Key XNHSSWJMCKYKBU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

441.0
MW (Da)
6.35
ALogP
2
HBA
0
HBD
6.5
PSA (Ų)
0.42
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 C26H27ClF2N2
MW 440.97
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.21

Literature References

PubMed DOI Target Context # Activities
21126871 10.1016/j.bmcl.2010.11.029 H4 1

Data from ChEMBL 36 via Core Engine