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Compound Detail

CHEMBL5195015

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CCc1ccc2c(c1)nc(N1CCC(C)CC1)n2Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5195015
Phase Preclinical
Structure Type MOL
InChI Key IWHRIWJVEQXWJX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

333.5
MW (Da)
4.88
ALogP
3
HBA
0
HBD
21.1
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H27N3
MW 333.48
Aromatic Rings 3
Heavy Atoms 25
NP-Likeness -1.47

Literature References

PubMed DOI Target Context # Activities
35653869 10.1016/j.bmc.2022.116853 Short transient receptor potential channel 5 1

Data from ChEMBL 36 via Core Engine