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Compound Detail

CHEMBL2027891

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CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCCN1C)C(=O)N[C@H](CC(=O)c1nc(C(=O)N[C@@H](Cc2ccccc2)C[C@H](C)C(=O)O)cs1)C(C)C

Basic Information

ChEMBL ID CHEMBL2027891
Phase Preclinical
Structure Type MOL
InChI Key XDKGMIDCLQWLKM-IYRYVLLLSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

669.9
MW (Da)
4.32
ALogP
8
HBA
4
HBD
157.8
PSA (Ų)
0.18
QED
1
Ro5 Violations
17
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C35H51N5O6S
MW 669.89
Aromatic Rings 2
Heavy Atoms 47
NP-Likeness -0.14

Data from ChEMBL 36 via Core Engine