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Compound Detail

CHEMBL4301838

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CCC1(OC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C[C@@H]2CCNC2=O)C(O)S(=O)(=O)O)CCN(C(=O)OC(C)(C)C)CC1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4301838
Phase Preclinical
Structure Type MOL
InChI Key XQPCHNVZRFSEQT-KDLWQYFGSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

606.7
MW (Da)
1.52
ALogP
9
HBA
5
HBD
200.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
11
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C26H46N4O10S
MW 606.74
Aromatic Rings 0
Heavy Atoms 41
NP-Likeness 0.17

Data from ChEMBL 36 via Core Engine