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Compound Detail

CHEMBL68874

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CCNC(=O)C(=O)C(Cc1ccccc1)NC(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL68874
Phase Preclinical
Structure Type MOL
InChI Key JVFVDIBUGJFPNY-UHFFFAOYSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

521.6
MW (Da)
2.67
ALogP
5
HBA
2
HBD
112.7
PSA (Ų)
0.42
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H31N3O5S
MW 521.64
Aromatic Rings 3
Heavy Atoms 37
NP-Likeness -1.21

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
11012026 10.1016/s0960-894x(00)00430-3 Calpain-1 catalytic subunit 1

Data from ChEMBL 36 via Core Engine