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Compound Detail

CHEMBL1178333

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)c1[nH]c2c(OCCCCCN=C(N)N)cccc2c1CCCCCCN=C(N)N)C(=O)N[C@@H](CC(C)C)C(=O)O

Basic Information

ChEMBL ID CHEMBL1178333
Phase Preclinical
Structure Type MOL
InChI Key WNVBEQHDNANJCC-FCYJCMBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

835.1
MW (Da)
3.56
ALogP
8
HBA
10
HBD
298.6
PSA (Ų)
0.03
QED
2
Ro5 Violations
27
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C43H66N10O7
MW 835.06
Aromatic Rings 3
Heavy Atoms 60
NP-Likeness 0.23

Data from ChEMBL 36 via Core Engine