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Compound Detail

CHEMBL5203612

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CC(C)(C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)Cc1ccc(CNC(=N)N)cc1)C(=O)N[C@@H](CCCN)C(=O)NCc1ccc(C(=N)N)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5203612
Phase Preclinical
Structure Type MOL
InChI Key GCVNQWUTRVIFOI-UNCTUWKVSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

721.9
MW (Da)
-0.68
ALogP
8
HBA
13
HBD
316.1
PSA (Ų)
0.05
QED
2
Ro5 Violations
20
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H55N13O4
MW 721.91
Aromatic Rings 2
Heavy Atoms 52
NP-Likeness 0.11

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
34340303 10.1021/acs.jmedchem.1c00518 Furin 1

Data from ChEMBL 36 via Core Engine