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Compound Detail

CHEMBL4299806

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C=C(C)[C@@H]1CC[C@]2(C(=O)NCc3ccccc3)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](OC(=O)c6ccccc6-c6c7ccc(=[N+](CC)CC)cc-7oc7cc(N(CC)CC)ccc67)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4299806
Phase Preclinical
Structure Type MOL
InChI Key UGKPJAJSGISEMX-KJFOHMIXSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

971.4
MW (Da)
14.36
ALogP
5
HBA
1
HBD
74.8
PSA (Ų)
0.06
QED
2
Ro5 Violations
12
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H84N3O4+
MW 971.40
Aromatic Rings 3
Heavy Atoms 72
NP-Likeness 1.08

Data from ChEMBL 36 via Core Engine