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Compound Detail

CHEMBL226788

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CONC(=O)c1cc(/C(=C\CCCC(=O)OC(C)(C)C)c2cc(C)c3oc(=O)n(C)c3c2)cc(C)c1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL226788
Phase Preclinical
Structure Type MOL
InChI Key UFXGNPYICJHKOU-SRZZPIQSSA-N
0
Targets
0
Activities
0
Assay Types
1
PK Parameters
6
Publications
0
Known Names

Molecular Properties

524.6
MW (Da)
4.99
ALogP
8
HBA
1
HBD
109.0
PSA (Ų)
0.24
QED
1
Ro5 Violations
9
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C29H36N2O7
MW 524.61
Aromatic Rings 3
Heavy Atoms 38
NP-Likeness -0.26

Pharmacokinetic Data

Parameter Value Units Species
t1/2 - - Rattus norvegicus

Literature References

PubMed DOI Target Context # Activities
17579385 10.1021/jm070236e Human immunodeficiency virus 1 2
17579385 10.1021/jm070236e Human immunodeficiency virus type 1 reverse transcriptase 1
17579385 10.1021/jm070236e Human immunodeficiency virus 2 1
17579385 10.1021/jm070236e CEM-SS 1
17579385 10.1021/jm070236e MT4 1
17579385 10.1021/jm070236e Plasma 1

Data from ChEMBL 36 via Core Engine