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Compound Detail

CHEMBL4469362

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S=C(NCCc1c[nH]c2ccccc12)N/N=C/c1ccccc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4469362
Phase Preclinical
Structure Type MOL
InChI Key MTVNMWDYXKRXON-CIAFOILYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

322.4
MW (Da)
3.21
ALogP
2
HBA
3
HBD
52.2
PSA (Ų)
0.38
QED
0
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H18N4S
MW 322.44
Aromatic Rings 3
Heavy Atoms 23
NP-Likeness -1.42

Literature References

PubMed DOI Target Context # Activities
31614257 10.1016/j.ejmech.2019.111764 Unchecked 3
31614257 10.1016/j.ejmech.2019.111764 GES1 1
31614257 10.1016/j.ejmech.2019.111764 ECa-109 cell line 1
31614257 10.1016/j.ejmech.2019.111764 MGC-803 1
31614257 10.1016/j.ejmech.2019.111764 PC-3 1

Data from ChEMBL 36 via Core Engine