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Compound Detail

CHEMBL319473

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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CN1CCNC(=O)CCC(=O)NCC(=O)N[C@@H](CCCN=C(N)N)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C1=O)C(N)=O

Basic Information

ChEMBL ID CHEMBL319473
Phase Preclinical
Structure Type MOL
InChI Key WGEKOVQGZROQRH-ISWDJSIVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

951.2
MW (Da)
-1.91
ALogP
11
HBA
10
HBD
331.5
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H66N12O9S
MW 951.16
Aromatic Rings 2
Heavy Atoms 67
NP-Likeness 0.19

Literature References

PubMed DOI Target Context # Activities
8759639 10.1021/jm960154i Substance-P receptor 1
8759639 10.1021/jm960154i Substance-K receptor 1
8759639 10.1021/jm960154i Neuromedin-K receptor 1

Data from ChEMBL 36 via Core Engine