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Compound Detail

CHEMBL2180571

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O=C(NCc1ccc(F)cc1)c1nc(Br)c2cccnc2c1NCCCNc1c(C(=O)NCc2ccc(F)cc2)nc(Br)c2cccnc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2180571
Phase Preclinical
Structure Type MOL
InChI Key VSYDWHQBHWLBKI-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
7
Publications
0
Known Names

Molecular Properties

790.5
MW (Da)
7.15
ALogP
8
HBA
4
HBD
133.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H28Br2F2N8O2
MW 790.47
Aromatic Rings 6
Heavy Atoms 49
NP-Likeness -0.78

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