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Compound Detail

CHEMBL522985

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COc1cc2c(c(OC)c1OC)-c1ccc(=O)c(N(C)C)cc1[C@@H](N)CC2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL522985
Phase Preclinical
Structure Type MOL
InChI Key RUQXXMUWOBJEQX-HNNXBMFYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

370.4
MW (Da)
2.75
ALogP
6
HBA
1
HBD
74.0
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C21H26N2O4
MW 370.45
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness 0.93

Literature References

PubMed DOI Target Context # Activities
1919593 10.1021/np50074a052 Human immunodeficiency virus 1 1
1919593 10.1021/np50074a052 H9 1

Data from ChEMBL 36 via Core Engine