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Compound Detail

CHEMBL65787

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CCC[C@H](NC(=O)CC1CC(=O)c2ccc(OC)cc21)C(=O)N[C@H](CC(C)C)C(=O)NCC(N)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL65787
Phase Preclinical
Structure Type MOL
InChI Key SSWDEFUBBKZZBM-RMSVRTADSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

488.6
MW (Da)
1.17
ALogP
6
HBA
4
HBD
156.7
PSA (Ų)
0.33
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H36N4O6
MW 488.59
Aromatic Rings 1
Heavy Atoms 35
NP-Likeness -0.01

Literature References

PubMed DOI Target Context # Activities
9871656 10.1016/s0960-894x(98)00015-8 Proteasome 1
9871656 10.1016/s0960-894x(98)00015-8 Calpain 1 1

Data from ChEMBL 36 via Core Engine