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Compound Detail

CHEMBL1185187

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C1=C2C[N+]3(Cc4ccccc4)CC[C@@H]4[C@@H]5[C@H]([C@@H](OC1)N1c6ccccc6[C@@]67CC[N+]8(Cc9ccccc9)CC9=CCO[C@H]([C@@H]([C@H]16)[C@H]9C[C@@H]78)N5c1ccccc1)[C@H]2C[C@@H]43
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1185187
Phase Preclinical
Structure Type MOL
InChI Key PMDWRQSBVADLQY-TZHLVZAZSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

769.0
MW (Da)
8.06
ALogP
4
HBA
0
HBD
24.9
PSA (Ų)
0.15
QED
2
Ro5 Violations
5
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C52H56N4O2+2
MW 769.05
Aromatic Rings 4
Heavy Atoms 58
NP-Likeness 1.12

Data from ChEMBL 36 via Core Engine