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Compound Detail

CHEMBL126025

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CC1(C)C2CC[C@@]1(CS(=O)(=O)N1CCC(c3ccccc3)(c3ccccc3)CC1)C(=O)C2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL126025
Phase Preclinical
Structure Type MOL
InChI Key RUAKAZIVMTZJIV-IQHZPMLTSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
4.79
ALogP
3
HBA
0
HBD
54.5
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C27H33NO3S
MW 451.63
Aromatic Rings 2
Heavy Atoms 32
NP-Likeness -0.02

Literature References

PubMed DOI Target Context # Activities
1331449 10.1021/jm00099a020 Vasopressin receptor 2
1331449 10.1021/jm00099a020 Oxytocin receptor 1

Data from ChEMBL 36 via Core Engine