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Compound Detail

CHEMBL2220135

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Cc1ccc(Sc2cc(C)ccc2N2CCNCC2)c(C)c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL2220135
Phase Preclinical
Structure Type MOL
InChI Key OMRBXLRIRPGSJD-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

312.5
MW (Da)
4.17
ALogP
3
HBA
1
HBD
15.3
PSA (Ų)
0.92
QED
0
Ro5 Violations
3
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C19H24N2S
MW 312.48
Aromatic Rings 2
Heavy Atoms 22
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine