complestatin A

CHEBI:65655 ·resolve ·ANTIVIRAL ·EXACT SEEDED

A heterodetic cyclic peptide that is chloropeptin II in which the indole moiety is oxidised to the corresponding 2-oxindole. It is a HIV-1 integrase inhibitor isolated from Streptomyces. — ChEBI

Machine-generated and unreviewed. Identity, structure and cross-references come straight from ChEBI's and CARD's own data; no curator has signed off on this record yet.

Classification

Strictly broader compounds or drug classes this molecule belongs to.

CHEBI:24533 CHEBI:24533
CHEBI:24828 CHEBI:24828
CHEBI:26195 CHEBI:26195
CHEBI:36683 CHEBI:36683
CHEBI:37407 CHEBI:37407

Chemical structure

Computed structure properties
Molecular formula	C61H45Cl6N7O16
Charge	0
Average mass	1344.782 Da
Monoisotopic mass	1341.10539 Da
Source	ChEBI
InChIKey	ZFUGTFLRENMBAG-HYTWXIRXSA-N

SMILES

[H][C@@]12NC(=O)[C@@H](c3cc(Cl)c(O)c(Cl)c3)NC(=O)[C@H](NC(=O)C(=O)c3cc(Cl)c(O)c(Cl)c3)CC3C(=O)Nc4cc(ccc43)-c3cc1cc(c3O)Oc1ccc(cc1)C[C@@]([H])(C(=O)N[C@@H](C(=O)O)c1ccc(O)cc1)N(C)C(=O)[C@@H](c1cc(Cl)c(O)c(Cl)c1)NC2=O

InChI

InChI=1S/C61H45Cl6N7O16/c1-74-43(56(83)73-48(61(88)89)24-4-7-30(75)8-5-24)12-23-2-9-31(10-3-23)90-44-21-26-13-33(50(44)77)25-6-11-32-34(54(81)68-41(32)20-25)22-42(69-59(86)49(76)29-18-39(66)53(80)40(67)19-29)55(82)70-46(27-14-35(62)51(78)36(63)15-27)57(84)71-45(26)58(85)72-47(60(74)87)28-16-37(64)52(79)38(65)17-28/h2-11,13-21,34,42-43,45-48,75,77-80H,12,22H2,1H3,(H,68,81)(H,69,86)(H,70,82)(H,71,84)(H,72,85)(H,73,83)(H,88,89)/t34?,42-,43+,45-,46-,47-,48-/m1/s1

Also called

neuroprotectin A (EXACT_SYNONYM)— chebi

Cross-references

Equivalent identifiers for this same structure in other resources.

reaxys:8894875

Activity roles

Every antimicrobial role a source asserts for this compound — the unreduced evidence behind its antimicrobial_class.

CHEBI:67268 CHEBI:67268

Source concepts

Every upstream concept that resolved to this record. The merge is the product: this is what shows ChEBI and CARD are describing the same structure.

Upstream concepts merged into this record
Source	Native ID	Label	Minted CURIE	Version
CHEBI	`CHEBI:65655`	complestatin A	`antibioticmech:chebi-1c8a3b5ec5`	2026-08-30

Mechanism summary

Mode of action: VIRAL_INTEGRASE_INHIBITION microbial target — Assigned from ChEBI role CHEBI:67268 (HIV-1 integrase inhibitor). ChEBI asserts the role on the compound. The role names a target specific to the microbe or virus — see mode_of_action_target_scope. Not a curator's mechanistic review.

Curation history

SEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Seeded from data/raw/ inventories (CHEBI)
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories
RESEEDED_FROM_SOURCES 2026-08-30 · seed_from_sources
Re-seeded from updated data/raw/ inventories

Provenance

Seeded by scripts/seed_from_sources.py from the committed inventories in data/raw/. View the record.