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Compound Detail

CHEMBL4595935

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Cc1c(C(=O)Nc2nc(C3CCC3)c(N3CCN(C)CC3)s2)cnn1C
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4595935
Phase Preclinical
Structure Type MOL
InChI Key YXLKVBVEGPTOKS-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

374.5
MW (Da)
2.46
ALogP
7
HBA
1
HBD
66.3
PSA (Ų)
0.89
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C18H26N6OS
MW 374.51
Aromatic Rings 2
Heavy Atoms 26
NP-Likeness -1.99

Data from ChEMBL 36 via Core Engine