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Compound Detail

CHEMBL278174

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O=C(N[C@H]1c2ccccc2C[C@H]1O)[C@H](Cc1ccccc1)C[C@H](O)CN1C(=O)[C@H](Cc2ccccc2)C[C@@H]1Cc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL278174
Phase Preclinical
Structure Type MOL
InChI Key JMCYOVXEMFWTCO-JSFOLGEGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

602.8
MW (Da)
5.07
ALogP
4
HBA
3
HBD
89.9
PSA (Ų)
0.21
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C39H42N2O4
MW 602.78
Aromatic Rings 4
Heavy Atoms 45
NP-Likeness 0.25

Literature References

PubMed DOI Target Context # Activities
10866371 10.1016/s0960-894x(00)00163-3 Human immunodeficiency virus type 1 protease 1
10866371 10.1016/s0960-894x(00)00163-3 MT4 1

Data from ChEMBL 36 via Core Engine