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Compound Detail

CHEMBL2115174

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COC(=O)[C@@H](NC(=O)[C@H](C(C)C)N1CCC(C(Cc2ccccc2)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@@H](N)CO)=CCC1=O)C(C)C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2115174
Phase Preclinical
Structure Type MOL
InChI Key GIANPSKMPPCRSF-AGEOILAGSA-N
0
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

672.8
MW (Da)
-0.07
ALogP
9
HBA
6
HBD
209.3
PSA (Ų)
0.10
QED
2
Ro5 Violations
16
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H52N6O8
MW 672.82
Aromatic Rings 1
Heavy Atoms 48
NP-Likeness 0.13

Activity Summary

Ki 1 meas.

Literature References

PubMed DOI Target Context # Activities
8360876 10.1021/jm00068a008 Human immunodeficiency virus type 1 protease 2

Data from ChEMBL 36 via Core Engine