Skip to main content
Free research Free research Free compound review with research home and workspace preview
Quick search ChEMBL 36
Compound Detail

CHEMBL4100142

Enter ChEMBL ID:
Free Research Context This compound will appear in recent viewed items on the research home for this browser.
Research home View demo workspace
CC[C@H](C)[C@@H]1NC(=O)[C@H](CCC(=O)O)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](CC(N)=O)NC(=O)[C@H](CCC(N)=O)NC1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4100142
Phase Preclinical
Structure Type MOL
InChI Key QWURMRGVLKFRLR-LVZGGATPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

958.1
MW (Da)
-3.63
ALogP
14
HBA
11
HBD
390.6
PSA (Ų)
0.06
QED
3
Ro5 Violations
18
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H63N11O13S2
MW 958.13
Aromatic Rings 0
Heavy Atoms 65
NP-Likeness 0.46

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