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Compound Detail

CHEMBL3040276

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CC(=O)Nc1nc(CCc2ccc(Cc3c[nH]c(N)n3)cc2)cs1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3040276
Phase Preclinical
Structure Type MOL
InChI Key VXAPNCLMTSOGLM-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

341.4
MW (Da)
2.78
ALogP
5
HBA
3
HBD
96.7
PSA (Ų)
0.64
QED
0
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C17H19N5OS
MW 341.44
Aromatic Rings 3
Heavy Atoms 24
NP-Likeness -1.01

Data from ChEMBL 36 via Core Engine