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Compound Detail

CHEMBL3915032

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COCCOCCN1CCOC(CNc2ccc(S(=O)(=O)NC(=O)c3ccc(N4CCN(CC5=C(c6ccc(Cl)cc6)CC(C)(C)CC5)CC4)cc3Oc3cnc4[nH]ccc4c3)cc2[N+](=O)[O-])C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3915032
Phase Preclinical
Structure Type MOL
InChI Key MIORPFRMZKJJPG-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

971.6
MW (Da)
7.60
ALogP
14
HBA
3
HBD
193.7
PSA (Ų)
0.04
QED
3
Ro5 Violations
19
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C49H59ClN8O9S
MW 971.58
Aromatic Rings 5
Heavy Atoms 68
NP-Likeness -1.16

Data from ChEMBL 36 via Core Engine