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Compound Detail

CHEMBL3335506

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N=C(N)NCCC[C@H](NC(=O)c1ccccc1)C(=O)N[C@@H](CCCCN)C(=O)N1CCCCC1C(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3335506
Phase Preclinical
Structure Type MOL
InChI Key CTBOFCBKBBJZDF-NFBCFJMWSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

516.6
MW (Da)
-0.47
ALogP
6
HBA
7
HBD
209.5
PSA (Ų)
0.10
QED
2
Ro5 Violations
14
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H40N8O4
MW 516.65
Aromatic Rings 1
Heavy Atoms 37
NP-Likeness -0.15

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
25221663 10.1021/ml500245v Genome polyprotein 3
25221663 10.1021/ml500245v Prothrombin 1

Data from ChEMBL 36 via Core Engine