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Compound Detail

CHEMBL1193827

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O=C1CN2Cc3c(sc4c3CN(Cc3ccccc3)CC4)N=C2N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1193827
Phase Preclinical
Structure Type MOL
InChI Key SGJXGQDKGIAHEG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

338.4
MW (Da)
2.24
ALogP
5
HBA
1
HBD
47.9
PSA (Ų)
0.91
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 C18H18N4OS
MW 338.44
Aromatic Rings 2
Heavy Atoms 24
NP-Likeness -1.29

Data from ChEMBL 36 via Core Engine