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Compound Detail

CHEMBL1199242

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C/N=C(\S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCN(C)C)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1199242
Phase Preclinical
Structure Type MOL
InChI Key JMRPXMNDNKNWFX-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

438.6
MW (Da)
2.94
ALogP
5
HBA
3
HBD
72.9
PSA (Ų)
0.22
QED
0
Ro5 Violations
8
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H30N6OS
MW 438.60
Aromatic Rings 3
Heavy Atoms 31
NP-Likeness -1.05

Data from ChEMBL 36 via Core Engine