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Compound Detail

CHEMBL301321

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CC1(C)[C@H](c2cc(Cl)cc(Cl)c2)[C@H]1c1cnc(N)s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL301321
Phase Preclinical
Structure Type MOL
InChI Key MKPFBKRAJGAZGU-VXGBXAGGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

313.2
MW (Da)
4.94
ALogP
3
HBA
1
HBD
38.9
PSA (Ų)
0.85
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C14H14Cl2N2S
MW 313.25
Aromatic Rings 2
Heavy Atoms 19
NP-Likeness -0.33

Literature References

PubMed DOI Target Context # Activities
14684323 10.1016/j.bmcl.2003.09.066 Sodium/hydrogen exchanger 1 1

Data from ChEMBL 36 via Core Engine