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Compound Detail

CHEMBL4292989

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CN(C)c1ccc(/C=N/NC(=N)SC2CC(=O)N(c3ccc(C(=O)O)cc3)C2=O)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4292989
Phase Preclinical
Structure Type MOL
InChI Key PRERIIVEYVKJRU-FSJBWODESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
4
Publications
0
Known Names

Molecular Properties

439.5
MW (Da)
2.37
ALogP
7
HBA
3
HBD
126.2
PSA (Ų)
0.27
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 C21H21N5O4S
MW 439.50
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -1.28

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