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Compound Detail

CHEMBL1185087

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COc1ccc(C[N+]23CC[C@@H]4[C@@H]5/C(=C\N6c7ccccc7[C@@]78CC[N+]9(Cc%10ccc(OC)c(OC)c%10)CC%10=CCO[C@H]([C@@H]([C@H]67)[C@H]%10C[C@@H]89)N5c5ccccc5)[C@@H](C[C@@H]42)/C(=C\CO)C3)cc1OC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185087
Phase Preclinical
Structure Type MOL
InChI Key PZQLMQHTASUMAA-COWKHESQSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

889.1
MW (Da)
8.00
ALogP
8
HBA
1
HBD
72.9
PSA (Ų)
0.13
QED
2
Ro5 Violations
10
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C56H64N4O6+2
MW 889.15
Aromatic Rings 4
Heavy Atoms 66
NP-Likeness 1.37

Data from ChEMBL 36 via Core Engine