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Compound Detail

CHEMBL1963651

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Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)NC4(C(=O)N5CCN(C(=O)[C@@H](N)CCCN(C)C)CC5)CCOCC4)c3Cl)c2n1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1963651
Phase Preclinical
Structure Type MOL
InChI Key NJIWJDHSBQGIEG-NDEPHWFRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

749.8
MW (Da)
3.90
ALogP
9
HBA
2
HBD
147.4
PSA (Ų)
0.28
QED
1
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H46Cl2N6O6S
MW 749.76
Aromatic Rings 3
Heavy Atoms 50
NP-Likeness -1.18

Data from ChEMBL 36 via Core Engine