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Compound Detail

CHEMBL2316448

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CC(C)C[C@H](NC(=O)[C@@H](NC(=O)COc1ccccc1)C(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)c1nccs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2316448
Phase Preclinical
Structure Type MOL
InChI Key IOEWPISUHHMKHQ-FIXSFTCYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

568.7
MW (Da)
2.53
ALogP
8
HBA
4
HBD
155.2
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H36N6O5S
MW 568.70
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.59

Activity Summary

IC50 1 meas.

Literature References

PubMed DOI Target Context # Activities
23245752 10.1016/j.bmc.2012.11.017 Unchecked 1

Data from ChEMBL 36 via Core Engine