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Compound Detail

CHEMBL2419313

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C/C=C(\C)C(=O)NCCc1c2c(c3nccc4c3c1Nc1ccccc1-4)NC(=O)CS2
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2419313
Phase Preclinical
Structure Type MOL
InChI Key FYLUWBJINWEXIB-QLKAYGNNSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
3
Publications
0
Known Names

Molecular Properties

430.5
MW (Da)
4.63
ALogP
5
HBA
3
HBD
83.1
PSA (Ų)
0.41
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

Natural Product First in Class Prodrug

Extended Properties

Molecular Formula C24H22N4O2S
MW 430.53
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness 0.52

Literature References

PubMed DOI Target Context # Activities
23961991 10.1021/np400284z A-375 1
23961991 10.1021/np400284z SW480 1
23961991 10.1021/np400284z HCT-116 1

Data from ChEMBL 36 via Core Engine