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Compound Detail

CHEMBL300074

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CC1=NOC(Cn2cc(C(=O)C(=O)Nc3cc(C)ns3)c3ccccc32)C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL300074
Phase Preclinical
Structure Type MOL
InChI Key ODPBHBDIVZTTSM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

382.4
MW (Da)
3.39
ALogP
7
HBA
1
HBD
85.6
PSA (Ų)
0.54
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 C19H18N4O3S
MW 382.45
Aromatic Rings 3
Heavy Atoms 27
NP-Likeness -1.32

Literature References

PubMed DOI Target Context # Activities
12699388 10.1021/jm020471r No relevant target 1
12699388 10.1021/jm020471r NUGC-3 1

Data from ChEMBL 36 via Core Engine