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Compound Detail

CHEMBL1186252

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CCN(CC)CCNC(=O)c1cc(I)cc2c(Nc3ccc(NS(C)(=O)=O)cc3OC)c3ccccc3nc12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1186252
Phase Preclinical
Structure Type MOL
InChI Key BLZCUBCPELDOJA-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

661.6
MW (Da)
5.19
ALogP
7
HBA
3
HBD
112.7
PSA (Ų)
0.15
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C28H32IN5O4S
MW 661.57
Aromatic Rings 4
Heavy Atoms 39
NP-Likeness -1.58

Data from ChEMBL 36 via Core Engine