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Compound Detail

CHEMBL4300108

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CCN(CC)c1ccc2c(-c3ccccc3C(=O)O[C@H]3CC[C@]4(C)[C@H]5C(=O)C=C6[C@@H]7C[C@@](C)(C(=O)NCc8ccccc8)CC[C@]7(C)CC[C@@]6(C)[C@]5(C)CC[C@H]4C3(C)C)c3ccc(=[N+](CC)CC)cc-3oc2c1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4300108
Phase Preclinical
Structure Type MOL
InChI Key NQGVEHLFQOTIDK-ZTXPWVEKSA-O
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

985.4
MW (Da)
13.69
ALogP
6
HBA
1
HBD
91.9
PSA (Ų)
0.08
QED
2
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C65H82N3O5+
MW 985.39
Aromatic Rings 3
Heavy Atoms 73
NP-Likeness 1.15

Data from ChEMBL 36 via Core Engine