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Compound Detail

CHEMBL4597256

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CC(C)C[C@H](NC(=O)OC1(c2ccccc2)CCNCC1)C(=O)N[C@@H](CCCNC(=N)N)C(=O)c1nc2ccccc2s1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4597256
Phase Preclinical
Structure Type MOL
InChI Key CWPABYGTEGMLDD-ZEQRLZLVSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
0
Publications
0
Known Names

Molecular Properties

607.8
MW (Da)
3.65
ALogP
8
HBA
6
HBD
171.3
PSA (Ų)
0.07
QED
2
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Unknown
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C31H41N7O4S
MW 607.78
Aromatic Rings 3
Heavy Atoms 43
NP-Likeness -0.12

Data from ChEMBL 36 via Core Engine