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Compound Detail

CHEMBL3558741

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CC[C@H](C)[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](C)/C=C/C(=O)N[C@@H](C)C(=O)NCc1ccccc1)C(C)C)N(C)C

Basic Information

ChEMBL ID CHEMBL3558741
Phase Preclinical
Structure Type MOL
InChI Key DOHZPASTISOBAP-NJMMSSMRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

742.0
MW (Da)
3.05
ALogP
7
HBA
6
HBD
177.8
PSA (Ų)
0.10
QED
2
Ro5 Violations
22
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C40H67N7O6
MW 742.02
Aromatic Rings 1
Heavy Atoms 53
NP-Likeness 0.08

Data from ChEMBL 36 via Core Engine