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Compound Detail

CHEMBL3787705

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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](N)CCCN/C(N)=N/C(=O)NCCOCCOCCN)C(=O)N[C@@H](CC(C)C)C(=O)O

Basic Information

ChEMBL ID CHEMBL3787705
Phase Preclinical
Structure Type MOL
InChI Key GMIDSJGCXAJRSP-XRSSCVGRSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

991.2
MW (Da)
-1.98
ALogP
13
HBA
14
HBD
406.1
PSA (Ų)
0.02
QED
3
Ro5 Violations
32
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C45H78N14O11
MW 991.21
Aromatic Rings 1
Heavy Atoms 70
NP-Likeness 0.06

Data from ChEMBL 36 via Core Engine