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Compound Detail

CHEMBL1878128

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Cc1ccc2nc(-c3ccc(NC(=S)NCC(C)(C)CN(C)C)cc3)sc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1878128
Phase Preclinical
Structure Type MOL
InChI Key ZXRMLXZCYMGYEM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

412.6
MW (Da)
5.15
ALogP
4
HBA
2
HBD
40.2
PSA (Ų)
0.55
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C22H28N4S2
MW 412.63
Aromatic Rings 3
Heavy Atoms 28
NP-Likeness -2.30

Literature References

PubMed DOI Target Context # Activities
30523084 10.1126/science.aat9446 Plasmodium berghei 4
30523084 10.1126/science.aat9446 HepG2-CD81 2

Data from ChEMBL 36 via Core Engine