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Compound Detail

CHEMBL2180594

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O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1NCc1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180594
Phase Preclinical
Structure Type MOL
InChI Key QMGIVVCIGNQRKH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

465.3
MW (Da)
5.07
ALogP
4
HBA
2
HBD
66.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H18BrFN4O
MW 465.33
Aromatic Rings 4
Heavy Atoms 30
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
23098137 10.1021/jm300667v HCT-116 2
23098137 10.1021/jm300667v Human immunodeficiency virus type 1 integrase 2
23098137 10.1021/jm300667v MCF7 1
23098137 10.1021/jm300667v MDA-MB-435 1
23098137 10.1021/jm300667v ADMET 1
23098137 10.1021/jm300667v C8166 1
23098137 10.1021/jm300667v Human immunodeficiency virus 1 1

Data from ChEMBL 36 via Core Engine