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Compound Detail

CHEMBL1198655

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C/N=C(\S)N(C)CCNc1c2ccccc2nc2c(C(=O)NCCCCNC(=O)Nc3ccccc3)cccc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1198655
Phase Preclinical
Structure Type MOL
InChI Key UVRUIXADJGTBDV-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

557.7
MW (Da)
4.98
ALogP
5
HBA
5
HBD
110.8
PSA (Ų)
0.06
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C30H35N7O2S
MW 557.72
Aromatic Rings 4
Heavy Atoms 40
NP-Likeness -1.15

Data from ChEMBL 36 via Core Engine