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Compound Detail

CHEMBL236459

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CCC(CC)(NC(=O)c1cc2ccccc2s1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCCOCCOCCN
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL236459
Phase Preclinical
Structure Type MOL
InChI Key YIQDAIQRXPGNED-DEOSSOPVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.7
MW (Da)
3.03
ALogP
7
HBA
4
HBD
131.8
PSA (Ų)
0.19
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H40N4O5S
MW 568.74
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.84

Literature References

PubMed DOI Target Context # Activities
17604625 10.1016/j.bmcl.2007.06.053 Substance-K receptor 1

Data from ChEMBL 36 via Core Engine