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Compound Detail

CHEMBL3304675

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COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@@H]4[C@@]5(C)CC[C@H](OC(=O)[C@@H](N)CC(=O)O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3304675
Phase Preclinical
Structure Type MOL
InChI Key ITJDZAAZBMFGBO-RLMMMRMHSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

599.8
MW (Da)
5.85
ALogP
7
HBA
2
HBD
133.0
PSA (Ų)
0.38
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 C35H53NO7
MW 599.81
Aromatic Rings 0
Heavy Atoms 43
NP-Likeness 2.72

Data from ChEMBL 36 via Core Engine