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Compound Detail

CHEMBL4285122

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Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nnc(-c2ccncc2)n1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4285122
Phase Preclinical
Structure Type MOL
InChI Key IFHLQVGOTMKIPH-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

384.4
MW (Da)
2.82
ALogP
8
HBA
1
HBD
115.8
PSA (Ų)
0.39
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 C17H16N6O3S
MW 384.42
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -2.86

Literature References

PubMed DOI Target Context # Activities
30109001 10.1039/C8MD00219C Unchecked 1
30109001 10.1039/C8MD00219C A549 1
30109001 10.1039/C8MD00219C HCT-116 1
30109001 10.1039/C8MD00219C ZR-75-30 1

Data from ChEMBL 36 via Core Engine