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Compound Detail

CHEMBL170798

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CS/C(=N\CCc1ccccc1Cl)Nc1ccc(Br)cn1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL170798
Phase Preclinical
Structure Type MOL
InChI Key IXROSZCGCHGTIA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.7
MW (Da)
4.87
ALogP
3
HBA
1
HBD
37.3
PSA (Ų)
0.60
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C15H15BrClN3S
MW 384.73
Aromatic Rings 2
Heavy Atoms 21
NP-Likeness -1.50

Literature References

PubMed DOI Target Context # Activities
10636251 10.1016/s0960-894x(99)00581-8 ADMET 1
10636251 10.1016/s0960-894x(99)00581-8 CCRF-CEM 1
10636251 10.1016/s0960-894x(99)00581-8 NALM-6 1
10636251 10.1016/s0960-894x(99)00581-8 Human immunodeficiency virus type 1 reverse transcriptase 1

Data from ChEMBL 36 via Core Engine