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Compound Detail

CHEMBL292435

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CSCC[C@H](NC(=O)[C@H](CC(C)C)N1CCC2(CCCN2C(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCN)C1=O)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL292435
Phase Preclinical
Structure Type MOL
InChI Key KMXAKISPLJTOKV-VWMUTNEVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

764.0
MW (Da)
1.91
ALogP
8
HBA
5
HBD
197.0
PSA (Ų)
0.13
QED
1
Ro5 Violations
20
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H57N7O6S
MW 764.01
Aromatic Rings 2
Heavy Atoms 54
NP-Likeness -0.26

Literature References

PubMed DOI Target Context # Activities
1694545 10.1021/jm00169a003 Substance-P receptor 2
1694545 10.1021/jm00169a003 Substance-K receptor 2

Data from ChEMBL 36 via Core Engine