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Compound Detail

CHEMBL4176789

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Cc1cnc(-c2ccc(S(N)(=O)=O)s2)nc1Nc1cc(C2CC2)n(C)n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4176789
Phase Preclinical
Structure Type MOL
InChI Key LOTNRMIDRONWNB-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

390.5
MW (Da)
2.52
ALogP
8
HBA
2
HBD
115.8
PSA (Ų)
0.69
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C16H18N6O2S2
MW 390.49
Aromatic Rings 3
Heavy Atoms 26
NP-Likeness -1.58

Literature References

PubMed DOI Target Context # Activities
29259738 10.1021/acsmedchemlett.7b00239 Mycobacterium tuberculosis 1
29259738 10.1021/acsmedchemlett.7b00239 Serine/threonine-protein kinase PknB 1
29259738 10.1021/acsmedchemlett.7b00239 Serine/threonine-protein kinase PknA 1

Data from ChEMBL 36 via Core Engine