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Compound Detail

CHEMBL177200

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CC1=NN(c2ccccc2)C(=O)C1/N=N/c1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL177200
Phase Preclinical
Structure Type MOL
InChI Key LSCJCAMSAXFPGW-OCEACIFDSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

463.5
MW (Da)
3.77
ALogP
8
HBA
1
HBD
129.3
PSA (Ų)
0.56
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H21N7O3S
MW 463.52
Aromatic Rings 3
Heavy Atoms 33
NP-Likeness -1.63

Literature References

PubMed DOI Target Context # Activities
9083480 10.1021/jm960596u Human immunodeficiency virus type 1 integrase 2

Data from ChEMBL 36 via Core Engine