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Compound Detail

CHEMBL4095513

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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCSSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCC(N)=O)NC1=O

Basic Information

ChEMBL ID CHEMBL4095513
Phase Preclinical
Structure Type MOL
InChI Key MJXPADHMIIVDLB-BETGVLFBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

1034.3
MW (Da)

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H71N13O11S2
MW 1034.28

Literature References

PubMed DOI Target Context # Activities
28438540 10.1016/j.bmcl.2017.04.030 Vasopressin V1a receptor 2
28438540 10.1016/j.bmcl.2017.04.030 Unchecked 2
28438540 10.1016/j.bmcl.2017.04.030 Oxytocin receptor 1

Data from ChEMBL 36 via Core Engine