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Compound Detail

CHEMBL461702

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CCC(CC)C1NC(C(=O)O)Cc2c1[nH]c1ccccc21
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL461702
Phase Preclinical
Structure Type MOL
InChI Key MLJMTWAVDGSYRT-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

286.4
MW (Da)
3.24
ALogP
2
HBA
3
HBD
65.1
PSA (Ų)
0.81
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 C17H22N2O2
MW 286.38
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness 0.94

Literature References

PubMed DOI Target Context # Activities
11473435 10.1021/np0101189 H9 1
11473435 10.1021/np0101189 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine