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Compound Detail

CHEMBL1183622

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CCCCc1ccc(O[C@H]2C[C@@H](C(=O)N[C@@H](CCSC)C(=O)O)N(C/C=C/[C@@H](N)CS)C2)cc1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1183622
Phase Preclinical
Structure Type MOL
InChI Key LGUQFZZRDNTAAI-UZZQCTRBSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

509.7
MW (Da)
2.99
ALogP
7
HBA
4
HBD
104.9
PSA (Ų)
0.21
QED
1
Ro5 Violations
15
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C25H39N3O4S2
MW 509.74
Aromatic Rings 1
Heavy Atoms 34
NP-Likeness -0.15

Data from ChEMBL 36 via Core Engine