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Compound Detail

CHEMBL4866575

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CS/C(=N\N=C(/C)c1ccccn1)N1CCC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4866575
Phase Preclinical
Structure Type MOL
InChI Key BJKWMPQAYISOMH-DZKMRSEMSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
5
Publications
0
Known Names

Molecular Properties

248.3
MW (Da)
2.23
ALogP
4
HBA
0
HBD
40.9
PSA (Ų)
0.46
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C12H16N4S
MW 248.35
Aromatic Rings 1
Heavy Atoms 17
NP-Likeness -1.24

Literature References

PubMed DOI Target Context # Activities
33538587 10.1021/acs.jmedchem.0c01360 No relevant target 2
33538587 10.1021/acs.jmedchem.0c01360 Unchecked 2
33538587 10.1021/acs.jmedchem.0c01360 TOV112D 1
33538587 10.1021/acs.jmedchem.0c01360 NCI-H1299 1
33538587 10.1021/acs.jmedchem.0c01360 ADMET 1

Data from ChEMBL 36 via Core Engine