Compound Detail

CHEMBL386608

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CC(=O)O[C@H]1C(=O)[C@]2(C)C(OC(=O)NCCCC(=O)O)C[C@H]3OC[C@@]3(OC(C)=O)C2[C@H](OC(=O)c2ccccc2)[C@]2(O)C[C@H](OC(=O)[C@H](O)[C@@H](NC(=O)c3ccccc3)c3ccccc3)C(C)=C1C2(C)C

ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID	CHEMBL386608
Phase	Preclinical
Structure Type	MOL
InChI Key	AGZOPBZGAZZAEB-QQAZOBPPSA-N

Targets

Activities

Assay Types

PK Parameters

Publications

Known Names

Molecular Properties

983.0

MW (Da)

4.33

ALogP

HBA

HBD

276.7

PSA (Å²)

0.06

QED

Ro5 Violations

Rot. Bonds

Drug Information

Molecule Type	Small molecule
Availability	Unknown
Chirality	Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula	C52H58N2O17
MW	983.03
Aromatic Rings	3
Heavy Atoms	71
NP-Likeness	1.61

Literature References

PubMed	DOI	Target Context	# Activities
-	10.1016/S0960-894X(00)80075-X	Tubulin alpha chain	1
-	10.1016/S0960-894X(00)80075-X	HCT-116	1

Data from ChEMBL 36 via Core Engine