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Compound Detail

CHEMBL351973

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CCN(C(=O)OCc1ccccc1)C1CCN(C[C@H]2CN3O[C@H](c4ccccc4)C[C@H]3[C@@H]2c2ccccc2)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL351973
Phase Preclinical
Structure Type MOL
InChI Key JHOUEHSZJCOGEB-DMBLRCPMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

539.7
MW (Da)
6.27
ALogP
5
HBA
0
HBD
45.2
PSA (Ų)
0.34
QED
2
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C34H41N3O3
MW 539.72
Aromatic Rings 3
Heavy Atoms 40
NP-Likeness -0.52

Literature References

PubMed DOI Target Context # Activities
11844699 10.1016/s0960-894x(01)00835-6 C-C chemokine receptor type 5 1
11844699 10.1016/s0960-894x(01)00835-6 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine