Epothilone D

Highest phase reached
Drug type
Small molecule

Listing at source
Listed
Highest phase reached

Drug type
Small molecule
Drug name
Epothilone D
Molecular weight
Structure (SMILES)
C/C1=C/C[C@@H](/C(C)=C/c2csc(C)n2)OC(=O)C[C@H](O)C(C)(C)C(=O)[C@H](C)[C@@H](O)[C@@H](C)CCC1

  • (-)-desoxyepothilone b
  • 12 13 desoxyepothilone b
  • 12 13 desoxyepothilone b cis
  • 12,13-desoxyepothilone b
  • 12,13-desoxyepothilone b, cis
  • desoxyepothilone b
  • Desoxyepothilone b
  • epothilone d
  • epothilone D
  • Epothilone d
  • Epothilone D
  • Epothilone D (KOS-862)
  • EPOTHILONE D [MI]
  • Epothilone D [WHO-DD]
  • epothilone d mi
  • epothilone d who dd
  • kos 862
  • KOS-862
  • nsc 703147
  • NSC-703147
  • r 1492
  • R-1492
  • r1492
  • R1492
  • utidelone

And 9 more, listed on the interactive page.

CAS registry numbers
  • 189453-10-9
ChEMBL ID
CHEMBL96172
InChIKey
XOZIUKBZLSUILX-GIQCAXHBSA-N
PubChem compound IDs
  • 447865
FDA ingredient codes (UNII)
  • T0358E0YUF

First in class
No
Orphan designation
No

  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P04350
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P07437
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P0DPH7
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P68363
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P68366
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    P68371
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q13509
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q13885
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q3ZCM7
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q6PEY2
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q71U36
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q9BQE3
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q9BUF5
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q9BVA1
  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin
    Protein identifier
    Q9H4B7

Open Targets mechanisms

  • Mechanism
    Tubulin stabiliser
    Action type
    STABILISER
    Target
    Tubulin

  • Condition
    Neoplasms
    Highest recorded phase
    1
    Condition identifier
    EFO:0000616
    Subject identifier
    D009369
  • Condition
    Colorectal Neoplasms
    Highest recorded phase
    2
    Condition identifier
    MONDO:0005575
    Subject identifier
    D015179
  • Condition
    Breast Neoplasms
    Highest recorded phase
    1
    Condition identifier
    MONDO:0007254
    Subject identifier
    D001943
  • Condition
    Prostatic Neoplasms, Castration-Resistant
    Highest recorded phase
    2
    Condition identifier
    MONDO:0008315
    Subject identifier
    D064129
  • Condition
    Lung Neoplasms
    Highest recorded phase
    2
    Condition identifier
    MONDO:0008903
    Subject identifier
    D008175

  • Condition identifier
    EFO_0000616
    Highest recorded phase
    1
  • Condition identifier
    MONDO_0005233
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0005575
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0007254
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0008315
    Highest recorded phase
    2
  • Condition identifier
    MONDO_0008903
    Highest recorded phase
    2

Hydrogen bond acceptors
7
Hydrogen bond donors
2
Polar surface area
96.72
Calculated partition coefficient (ALogP)
5.27
Calculated partition coefficient (XLogP)
5
Prodrug
No
Chirality
Single enantiomer
Inorganic
No
Rule-of-five violations
1
Rotatable bonds
2
Heavy atoms
34
Molecular formula
C27H41NO5S
Monoisotopic mass
491.27054458
Natural product
Yes

Recorded assays
156
Active assays
95

  • Confirmatory
  • Screening

Related records

Trials (48)

In development for (5)

Targets (15)