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Compound Detail

CHEMBL4868642

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CC1(C)C(O)(C2CC2)c2cc3nccc(Nc4ccc5scnc5c4)c3cc2S1(=O)=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4868642
Phase Preclinical
Structure Type MOL
InChI Key ULWVYTXNIWMBCU-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

451.6
MW (Da)
4.75
ALogP
7
HBA
2
HBD
92.2
PSA (Ų)
0.47
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H21N3O3S2
MW 451.57
Aromatic Rings 4
Heavy Atoms 31
NP-Likeness -0.69

Literature References

PubMed DOI Target Context # Activities
33730678 10.1016/j.ejmech.2021.113327 HT-29 1

Data from ChEMBL 36 via Core Engine