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Compound Detail

CHEMBL3261771

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CC(C)C[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCC(N)=O)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3261771
Phase Preclinical
Structure Type BOTH
InChI Key STKDSCPSNDONKU-DUJSLOSMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

892.0
MW (Da)
-5.99
ALogP
13
HBA
16
HBD
450.7
PSA (Ų)
0.02
QED
3
Ro5 Violations
28
Rot. Bonds

Drug Information

Molecule Type Protein
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C37H65N17O9
MW 892.04
Aromatic Rings 1
Heavy Atoms 63

Literature References

PubMed DOI Target Context # Activities
24755525 10.1016/j.bmc.2014.04.001 No relevant target 1
24755525 10.1016/j.bmc.2014.04.001 Apelin receptor 1

Data from ChEMBL 36 via Core Engine