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Compound Detail

CHEMBL392611

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CCn1cc(C(=O)O)c(=O)c2cc(F)c(N3CCN(CNC(=O)C4=C(O)[C@@H](N(C)C)[C@@H]5C[C@@H]6Cc7c(N(C)C)ccc(O)c7C(=O)C6=C(O)[C@]5(O)C4=O)CC3)cc21

Basic Information

ChEMBL ID CHEMBL392611
Phase Preclinical
Structure Type MOL
InChI Key JHZDVXFAQMWQBG-MUPHQAPPSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

788.8
MW (Da)
1.77
ALogP
14
HBA
6
HBD
216.4
PSA (Ų)
0.18
QED
3
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H45FN6O10
MW 788.83
Aromatic Rings 3
Heavy Atoms 57
NP-Likeness 0.15

Literature References

PubMed DOI Target Context # Activities
17376679 10.1016/j.bmcl.2006.11.055 Human immunodeficiency virus type 1 integrase 2
17376679 10.1016/j.bmcl.2006.11.055 CCRF-CEM 1
17376679 10.1016/j.bmcl.2006.11.055 Mycobacterium tuberculosis 1
17376679 10.1016/j.bmcl.2006.11.055 Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine