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Compound Detail

CHEMBL4646912

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CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCN(C(=O)c2ccccc2Nc2ccnn2C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4646912
Phase Preclinical
Structure Type MOL
InChI Key QPTAGGDGRGMLGP-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

495.6
MW (Da)
2.94
ALogP
7
HBA
1
HBD
104.6
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H29N5O4S
MW 495.61
Aromatic Rings 3
Heavy Atoms 35
NP-Likeness -1.95

Literature References

PubMed DOI Target Context # Activities
32063403 10.1016/j.bmc.2020.115354 Protein smoothened 1

Data from ChEMBL 36 via Core Engine