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Compound Detail

CHEMBL3787706

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CCC(=O)NCCCCNC(=O)/N=C(\N)NCCC[C@H](N)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)O)[C@@H](C)CC
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL3787706
Phase Preclinical
Structure Type MOL
InChI Key WNFLQFAPYRIZST-LXTFILKESA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

987.2
MW (Da)
-0.67
ALogP
11
HBA
14
HBD
390.8
PSA (Ų)
0.03
QED
3
Ro5 Violations
30
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C46H78N14O10
MW 987.22
Aromatic Rings 1
Heavy Atoms 70
NP-Likeness 0.05

Data from ChEMBL 36 via Core Engine